SCHEMBL2927004

SCHEMBL2927004

CS(=O)(=O)c1ccc2[nH]c(-c3nnco3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
TP53 P04637 1/20 0.39
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
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
METAP2 P50579 1/20 0.36
NPBWR1 P48145 1/20 0.36
FYN P06241 1/20 0.35
SCD O00767 3/20 0.34
SYK P43405 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8306238 0.74 CDK5 (0.60) CDK5CDK5R1CA12CA1CA2
SCHEMBL31392750 0.74 RAB9A (0.49) TP53
SCHEMBL14977731 0.74 RAB9A (0.49) TP53
SCHEMBL2929405 0.73 CTSV (0.46) CDK5CDK5R1TP53CA12CA1
SCHEMBL2929691 0.72 CDK5 (0.55) CDK5CDK5R1CA12CA1CA2
SCHEMBL318866 0.69 CYP2A6 (0.52) CDK5CDK5R1NPBWR1FYN
SCHEMBL2929240 0.68 CDK5 (0.43) CDK5CDK5R1CA12CA1CA2
SCHEMBL31392751 0.68 NOTUM (0.48) METAP2
SCHEMBL28946903 0.67 PTGS2 (0.43) CDK5CDK5R1NPBWR1SCD
SCHEMBL27892836 0.67 NPBWR1 (0.41) CDK5CDK5R1NPBWR1SCD

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 418/4885TP53 1460/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CDK5 752/4885CDK5R1 423/4885TP53 2593/4885

“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.