Sugi Predict

Sugi Predict / Compounds / SCHEMBL638491

SCHEMBL638491

SCHEMBL638491

Cc1cc(Br)c2nccnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ PSMD14 O00487 1/20 0.32
▸ COPS5 Q92905 1/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17875688 0.77 NQO2 (0.45) ALDH1A1MAPK1NQO2KDM4ELMNA
SCHEMBL8404383 0.77 PRMT5 (0.41) ALDH1A1MAPK1PSMD14COPS5KDM4E
SCHEMBL24373626 0.75 CCNB2 (0.41) ALDH1A1MAPK1NQO2KDM4ELMNA
SCHEMBL16739214 0.74 NR4A2 (0.39) ALDH1A1MAPK1LMNAMAPTCCNB2
SCHEMBL25002420 0.74 MAPT (0.42) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL30377453 0.74 MAPT (0.42) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL24373627 0.74 ESR2 (0.39) ALDH1A1MAPK1NQO2KDM4ECCNB2
SCHEMBL30217734 0.74 MAPK1 (0.33) ALDH1A1MAPK1MAPTCCNB2CDK1
SCHEMBL30789719 0.74 NR4A2 (0.39) ALDH1A1MAPK1LMNAMAPTCCNB2
SCHEMBL16040498 0.74 MAPK1 (0.33) ALDH1A1MAPK1MAPTCCNB2CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056284-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 — — US disclosed
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 — — US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 — — US disclosed
US-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy Graybug Vision, Inc. (US) 2021-11-02 — — US disclosed
US-20200230246-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2020-07-23 — — US disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 — — US disclosed
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 — — CN disclosed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 — — US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 — — EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 — — US disclosed
EP-2070539-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-17 — — EP disclosed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 — — EP disclosed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 — — EP disclosed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 — — US disclosed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 — — US disclosed
US-7407955-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-08-05 — — US disclosed
CN-1675212-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, process for their preparation and their use as pharmaceutical preparations BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — CN disclosed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 — — EP disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 — — US disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 ALDH1A1 196/4885MAPK1 2913/4885PSMD14 3234/4885
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MAPK1 884/4885PSMD14 4534/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ALDH1A1 213/4885MAPK1 2733/4885PSMD14 3051/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ALDH1A1 1084/4885MAPK1 884/4885PSMD14 4534/4885
US-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy CHMP4B, EXOSC9, EXOSC5 ALDH1A1 2063/4885MAPK1 4370/4885PSMD14 2836/4885
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 ALDH1A1 2063/4885MAPK1 4370/4885PSMD14 2836/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ALDH1A1 196/4885MAPK1 2913/4885PSMD14 3234/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ALDH1A1 213/4885MAPK1 2733/4885PSMD14 3051/4885
US-20200230246-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 ALDH1A1 2063/4885MAPK1 4370/4885PSMD14 2836/4885
US-20230056284-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 ALDH1A1 2063/4885MAPK1 4370/4885PSMD14 2836/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 ALDH1A1 295/4885MAPK1 2370/4885PSMD14 2923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.