SCHEMBL1536431

SCHEMBL1536431

CCNc1nc(C(=O)OCC)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 6/20 0.66
GAA P10253 2/20 0.66
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HSP90AA1 P07900 2/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 1/20 0.55
EGFR P00533 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55

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
SCHEMBL29598646 0.88 CYP1A2 (0.70) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL1816233 0.86 CYP1A2 (0.71) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL13879960 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL13098582 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL4564086 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL29235432 0.84 CYP1A2 (0.61) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL10465572 0.84 L3MBTL1 (0.63) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL10465516 0.83 CYP1A2 (0.64) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL9715306 0.83 CYP1A2 (0.60) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL24248340 0.83 SMN1; SMN2 (0.72) CYP1A2CYP2C19SMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed
WO-2021018857-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2021-02-04 WO disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 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 (5 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2C19 424/4885SMN1; SMN2 4765/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS CYP1A2 2722/4885CYP2C19 1869/4885SMN1; SMN2 4669/4885
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 CYP1A2 335/4885CYP2C19 1476/4885SMN1; SMN2 2163/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CYP1A2 683/4885CYP2C19 517/4885SMN1; SMN2 4705/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CYP1A2 138/4885CYP2C19 601/4885SMN1; SMN2 4722/4885

“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.