SCHEMBL6318598

SCHEMBL6318598

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccccc32)c2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
LSS P48449 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ROCK2 O75116 6/20 0.39
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ACP1 P24666 1/20 0.36
POLB P06746 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
SCHEMBL6318597 1.00 KDR (0.43) KDRLSSRXFP1ROCK2GAA
SCHEMBL6322247 0.89 KMT2A (0.40) ROCK2KDM4ECCKBR
SCHEMBL6322253 0.89 KMT2A (0.40) ROCK2KDM4ECCKBR
SCHEMBL6327035 0.89 LSS (0.48) KDRLSSROCK2CCKBRTMEM97
SCHEMBL6327539 0.89 LSS (0.48) KDRLSSROCK2CCKBRTMEM97
SCHEMBL6323528 0.89 IDO1 (0.40) KDRLSSROCK2
SCHEMBL6323531 0.89 IDO1 (0.40) KDRLSSROCK2
SCHEMBL30979384 0.89 IDO1 (0.40) KDRLSSROCK2
SCHEMBL4487046 0.87 LSS (0.44) LSSRXFP1ROCK2KDM4ETMEM97
SCHEMBL4487048 0.87 LSS (0.44) LSSRXFP1ROCK2KDM4ETMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US 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 (1 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 KDR 448/4885LSS 3807/4885RXFP1 1802/4885

“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.