SCHEMBL4168093

SCHEMBL4168093

COC(=O)c1ncc(Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nc1Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
BCL6 P41182 1/20 0.36
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PAK1 Q13153 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL4169855 0.85 MAPT (0.34) MAPTCCNKCCNA2CDK2CCND3
SCHEMBL4300425 0.85 KDR (0.40) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL4295678 0.83 MAPT (0.50) MAPTPOLBMKNK1CCNKCCNA2
SCHEMBL4015445 0.75 MAPT (0.37) MAPTCCNKCCNA2CDK2CCND3
SCHEMBL4171041 0.75 POLB (0.45) MAPTPOLBMAPK1SYKMEN1
SCHEMBL4303619 0.73 MAPT (0.54) MAPTCDK2TP53MEN1ALOX15
SCHEMBL16356861 0.72 STK17B (0.41) MAPTMKNK1CCNKCCNA2CDK2
SCHEMBL16356864 0.70 EGFR (0.40) MAPTMKNK1CCNKCCNA2CDK2
SCHEMBL4295172 0.69 MAPT (0.42) MAPTTP53MEN1ALOX15KMT2A
SCHEMBL14771765 0.69 ALK (0.40) MAPTMAPK1SYKEGFR

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 MAPT 758/4885POLB 1720/4885MAPK1 87/4885

“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.