Sugi Predict

Sugi Predict / Compounds / SCHEMBL637345

SCHEMBL637345

SCHEMBL637345

[c]1nc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ NTSR1 P30989 1/20 0.37

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
SCHEMBL9870201 0.87 ALDH1A1 (0.35) ALDH1A1HPGDMAPTTDP1NPC1
SCHEMBL10915970 0.76 ESR1 (0.45) KMT2ARAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5595305 0.75 KDM4E (0.52) KMT2ARAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2187573 0.73 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL78634 0.73 RAB9A (0.44) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL6247283 0.73 KDM4E (0.41) KMT2ARAB9AALDH1A1HPGDIDO1
SCHEMBL558134 0.72 CYP1A2 (0.43) RAB9AALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL1879034 0.72 PDPK1 (0.43) MEN1KMT2ARAB9AADORA2AADORA1
SCHEMBL3643104 0.72 ALDH1A1 (0.34) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2589453 0.72 CYP1A2 (0.33) ALDH1A1HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-102964347-A 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2013-03-13 — — CN claimed
US-7973126-B2 Emissive polymeric materials for optoelectronic devices GENERAL ELECTRIC COMPANY (US) 2011-07-05 — — US claimed
EP-2308878-A2 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-04-13 — — EP claimed
EP-1489111-B1 POLYMERIC COMPOUND AND ELECTROLUMINESCENT ELEMENT CANON KK (JP) 2010-12-29 — — EP claimed
EP-2225346-A1 EMISSIVE POLYMERIC MATERIALS FOR OPTOELECTRONIC DEVICES General Electric Company (US) 2010-09-08 — — EP claimed
EP-1709049-B1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 — — EP claimed
CN-101503408-A 8-(3-amino-piperidin-1-yl)-xanthines BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — CN claimed
WO-2009079039-A1 EMISSIVE POLYMERIC MATERIALS FOR OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-06-25 — — WO claimed
US-20090156783-A1 EMISSIVE POLYMERIC MATERIALS FOR OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-06-18 — — US claimed
JP-2007515442-A — — 2007-06-14 — — JP claimed
US-7183280-B2 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-27 — — US claimed
EP-1709049-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-11 — — EP claimed
JP-2006503013-A — — 2006-01-26 — — JP claimed
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 claimed
WO-2005063750-A1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 — — WO claimed
US-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 — — US claimed
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 claimed
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 claimed
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 claimed

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

For each of this compound's patents that has machine-readable text (2 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-20050143377-A1 Bicyclic imidazole derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MEN1 2642/4885KMT2A 2280/4885RAB9A 3058/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MEN1 4483/4885KMT2A 4133/4885RAB9A 2089/4885

“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.