SCHEMBL387443

SCHEMBL387443

CS(=O)(=O)c1ccc(-c2cnc(N)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.52
FEN1 P39748 8/20 0.52
KCNH2 Q12809 1/20 0.50
PTGS2 P35354 1/20 0.47
PRKDC P78527 5/20 0.46
ATR Q13535 5/20 0.46
ATM Q13315 4/20 0.46
RORC P51449 1/20 0.44
FYN P06241 1/20 0.44
MAP4K4 O95819 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
TNIK Q9UKE5 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
SCHEMBL558136 0.83 FEN1 (0.51) ALOX5APFEN1PRKDCATRATM
SCHEMBL30829217 0.83 FEN1 (0.51) ALOX5APFEN1PRKDCATRATM
SCHEMBL387688 0.79 ENPP2 (0.47) KCNH2PTGS2PRKDCATRATM
SCHEMBL4488979 0.79 MAP4K4 (0.54) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL15918540 0.79 ALOX5AP (0.74) ALOX5APFEN1
SCHEMBL11371855 0.76 NOS3 (0.50) ALOX5APFEN1
SCHEMBL15308507 0.76 KCNH2 (0.60) KCNH2PRKDCATRATM
SCHEMBL387593 0.75 ALOX5AP (0.64) ALOX5APFEN1
SCHEMBL28101536 0.75 ATR (0.47) ALOX5APFEN1PRKDCATRATM
SCHEMBL30139279 0.75 ATR (0.44) ALOX5APFEN1PRKDCATRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518856-A Pyrazine derivatives useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2017-03-22 CN disclosed
CN-106496209-A It is used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-03-15 CN disclosed
CN-106496210-A It is used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-03-15 CN disclosed
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP disclosed
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP disclosed
CN-102731492-B Cyclohexanes derivant, its preparation method and in application pharmaceutically 江苏恒瑞医药股份有限公司 2016-06-29 CN disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (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-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ALOX5AP 3656/4885FEN1 733/4885KCNH2 2655/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ALOX5AP 2945/4885FEN1 3869/4885KCNH2 2919/4885

“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.