SCHEMBL2929240

SCHEMBL2929240

CS(=O)(=O)c1ccc2[nH]c(-c3nccs3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
SYK P43405 1/20 0.39
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
CBFB Q13951 1/20 0.38
SCD O00767 2/20 0.38
LRRK2 Q5S007 1/20 0.38
FYN P06241 1/20 0.37
ROCK2 O75116 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
VCP P55072 1/20 0.36
METAP1 P53582 1/20 0.36
NPBWR1 P48145 1/20 0.36

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
SCHEMBL17674149 0.76 MAPT (0.56) CDK5CDK5R1SYKROCK2METAP1
SCHEMBL2929691 0.75 CDK5 (0.55) CDK5CDK5R1SCDLRRK2FYN
SCHEMBL8306238 0.74 CDK5 (0.60) CDK5CDK5R1PRKDCATMATR
SCHEMBL1799025 0.74 METAP1 (0.50) ROCK2METAP1
SCHEMBL5152410 0.70 PDPK1 (0.53) LRRK2
SCHEMBL12658214 0.69 KAT6A (0.52) SYKLRRK2
SCHEMBL318866 0.69 CYP2A6 (0.52) CDK5CDK5R1FYNROCK2NPBWR1
SCHEMBL2927004 0.68 CDK5 (0.43) CDK5CDK5R1SYKPRKDCATM
SCHEMBL3485304 0.68 F10 (0.38) SYKROCK2
SCHEMBL25727645 0.68 CA2 (0.39) PRKDCATMATRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086950-B1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-09-29 EP disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 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 (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-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 CDK5 459/4885CDK5R1 418/4885SYK 1804/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CDK5 752/4885CDK5R1 423/4885SYK 2133/4885

“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.