SCHEMBL4014599

SCHEMBL4014599

N#Cc1cccc(Nc2cncc(Cl)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.60
BRAF P15056 1/20 0.50
ABCG2 Q9UNQ0 7/20 0.49
SLC2A1 P11166 2/20 0.47
SYK P43405 1/20 0.47
CDC7 O00311 1/20 0.44
MAOB P27338 1/20 0.44
GRM5 P41594 1/20 0.44
KDR P35968 2/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SCN9A Q15858 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL1121971 0.80 CDK2 (0.70) CDK2BRAFKDRFLT1FLT4
SCHEMBL8298737 0.78 ABCG2 (0.52) ABCG2SLC2A1SYKCDC7KDR
SCHEMBL6662179 0.78 CDK2 (0.66) CDK2BRAFABCG2SYKKDR
SCHEMBL6281968 0.77 CYP1A2 (0.48)
SCHEMBL5000792 0.77 BRAF (0.55) BRAFABCG2SLC2A1SYKKDR
SCHEMBL4997476 0.76 BRAF (0.64) BRAFABCG2KDR
SCHEMBL1678613 0.76 CDK2 (1.00) CDK2BRAFSCN9A
SCHEMBL4992499 0.76 BRAF (0.60) BRAFABCG2SYKKDR
SCHEMBL4162147 0.76 ABCG2 (0.48) BRAFABCG2SLC2A1SYKEGFR
SCHEMBL21257473 0.74 CDK2 (0.60) CDK2BRAFKDRPTGS1PTGS2

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 CDK2 67/4885BRAF 73/4885ABCG2 3665/4885

“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.