SCHEMBL6320092

SCHEMBL6320092

COc1ccc2sc3c(c2c1)N[C@@H](C)CNC3=O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.82
CDK1 P06493 18/20 0.82
PRKD1 Q15139 2/20 0.54

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
SCHEMBL6310787 1.00 MAPKAPK2 (0.82) MAPKAPK2CDK1PRKD1
SCHEMBL6312607 1.00 MAPKAPK2 (0.82) MAPKAPK2CDK1PRKD1
SCHEMBL6311137 0.90 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6311690 0.90 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6314208 0.90 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6314186 0.85 MAPKAPK2 (0.64) MAPKAPK2CDK1PRKD1
SCHEMBL6319420 0.85 MAPKAPK2 (0.64) MAPKAPK2CDK1PRKD1
SCHEMBL6313855 0.81 MAPKAPK2 (0.70) MAPKAPK2CDK1PRKD1
SCHEMBL6320329 0.81 MAPKAPK2 (0.70) MAPKAPK2CDK1PRKD1
SCHEMBL6313395 0.81 MAPKAPK2 (0.70) MAPKAPK2CDK1PRKD1

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 3 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
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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 (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 MAPKAPK2 201/4885CDK1 1/4885PRKD1 341/4885

“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.