SCHEMBL3094683

SCHEMBL3094683

CS(=O)(=O)c1ccc(-c2cncc(Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
PTGS2 P35354 10/20 0.44
PTGS1 P23219 3/20 0.43
IDO1 P14902 1/20 0.43
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL2637980 0.83 ATR (0.43) CYP11B2CYP11B1PRKDCATMATR
SCHEMBL23093391 0.81 CDK2 (0.38) CDK5CDK5R1PTGS2PTGS1
SCHEMBL2634150 0.80 CDK5 (0.49) CDK5CDK5R1PTGS2KCNH2HDAC6
SCHEMBL23093390 0.80 CDK5 (0.49) CDK5CDK5R1PTGS2KCNH2HDAC6
SCHEMBL23093295 0.78 PTGS2 (0.49) PTGS2PTGS1HDAC6
SCHEMBL29802375 0.78 PTGS2 (0.49) PTGS2PTGS1HDAC6
SCHEMBL23093395 0.77 CDK5 (0.42) CDK5CDK5R1PTGS2PTGS1IDO1
SCHEMBL4901225 0.77 CYP11B2 (0.49) CYP11B2CYP11B1
SCHEMBL4569744 0.76 CDK5 (0.46) CDK5CDK5R1PTGS2CYP11B2CYP11B1
SCHEMBL28178965 0.76 PTGS2 (0.56) CDK5CDK5R1PTGS2PTGS1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 WO disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 WO disclosed
US-9334244-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-10 US disclosed
US-9334244-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-10 US disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN disclosed
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 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 (4 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 CDK5 572/4885CDK5R1 498/4885PTGS2 2581/4885
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES CDK5 331/4885CDK5R1 589/4885PTGS2 2/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B CDK5 372/4885CDK5R1 445/4885PTGS2 2368/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B CDK5 319/4885CDK5R1 263/4885PTGS2 2403/4885

“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.