SCHEMBL640308

SCHEMBL640308

COC(=O)c1cnnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.55
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ ABHD5 Q8WTS1 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ NR4A2 P43354 2/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 3/20 0.44

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
SCHEMBL10741962 0.83 TSHR (0.54) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL24400252 0.83 HDAC3 (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL8237140 0.81 HCRTR1 (0.45) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL10736752 0.80 ALDH1A1 (0.57) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL10843172 0.80 KDM4E (0.38) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL8572511 0.80 CCR1 (0.50) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL10739492 0.80 NR4A2 (0.49) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL10740461 0.80 NR4A2 (0.49) KDM4EKMT2AALDH1A1HPGDMAPK1
SCHEMBL30798875 0.79 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL335334 0.79 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 — — US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 — — US disclosed
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 — — CN disclosed
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 — — EP disclosed
CN-105001222-B 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2017-11-07 — — CN disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 — — US disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 — — US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 — — US disclosed
CN-101503409-A 8-(3-amino-piperidin-1-yl)-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — CN disclosed
CN-100522962-C 8- [ 3-amino-piperidin-1-yl ] -xanthines, process for their preparation and their use as pharmaceutical preparations BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-05 — — CN 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
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
US-4699651-A Use of certain cinnoline-4-carboxylic acids and congeners thereof for controlling the growth of unwanted plants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-13 — — US disclosed
CN-86105084-A HERBICIDAL CINNOLINE COMPOUNDS — 1987-04-29 — — CN disclosed
EP-0212726-A2 Herbicidal cinnoline compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 — — EP 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 (8 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 KDM4E 829/4885MEN1 3857/4885KMT2A 2520/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 779/4885MEN1 3641/4885KMT2A 2573/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 829/4885MEN1 3857/4885KMT2A 2520/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 829/4885MEN1 3857/4885KMT2A 2520/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 779/4885MEN1 3641/4885KMT2A 2573/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 829/4885MEN1 3857/4885KMT2A 2520/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KDM4E 1974/4885MEN1 4483/4885KMT2A 4133/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KDM4E 829/4885MEN1 3857/4885KMT2A 2520/4885

“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.

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