SCHEMBL476267

SCHEMBL476267

NC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.62
ALDH1A1 P00352 2/20 0.47
CKS1B P61024 3/20 0.46
SKP1 P63208 3/20 0.46
SKP2 Q13309 3/20 0.46
KDM4E B2RXH2 1/20 0.45
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
MAP2K3 P46734 1/20 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
SCHEMBL30712642 0.85 CNR1 (0.66) CNR1ALDH1A1CKS1BSKP1SKP2
SCHEMBL4456253 0.85 CNR1 (0.66) CNR1ALDH1A1CKS1BSKP1SKP2
SCHEMBL2834588 0.82 CNR1 (0.62) CNR1ALDH1A1CKS1BSKP1SKP2
SCHEMBL6454010 0.79 CNR1 (0.62) CNR1ALDH1A1KDM4E
SCHEMBL2837164 0.78 CNR1 (0.57) CNR1CKS1BSKP1SKP2
SCHEMBL30712635 0.78 CNR1 (0.61) CNR1ALDH1A1
SCHEMBL2830367 0.78 CNR1 (0.61) CNR1ALDH1A1
SCHEMBL4451106 0.77 CNR1 (1.00) CNR1ALDH1A1KDM4E
SCHEMBL20765237 0.76 CNR1 (0.41) CNR1ALDH1A1KDM4EDGAT1SOAT1
SCHEMBL7090661 0.75 ALDH1A1 (0.47) CNR1ALDH1A1KDM4EDGAT1MAP2K3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496209-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-30 CN disclosed
CN-106496210-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-09 CN disclosed
CN-106518856-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-04-28 CN disclosed
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
EP-2324015-B1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-03 EP disclosed
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-11-23 US disclosed
EP-1678159-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-07-12 EP disclosed
EP-1592451-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND AstraZeneca AB (SE) 2005-11-09 EP disclosed
WO-2005035488-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-04-21 WO disclosed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 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 (3 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-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof CNR1, CNR2, TPMT CNR1 1/4885ALDH1A1 412/4885CKS1B 1463/4885
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 CNR1 4/4885ALDH1A1 1238/4885CKS1B 2257/4885
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 CNR1 48/4885ALDH1A1 1237/4885CKS1B 1734/4885

“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.