SCHEMBL2467708

SCHEMBL2467708

COc1cc(Nc2ncc(-c3n[nH]c4nc(C)c(F)cc34)c(N)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.39
CDK9 P50750 7/20 0.39
PTGS2 P35354 1/20 0.35
CCNT1 O60563 4/20 0.35
CCNE1 P24864 3/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
IKBKB O14920 1/20 0.34
KIT P10721 1/20 0.34
RIPK2 O43353 1/20 0.34
SYK P43405 1/20 0.33
IGF1R P08069 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL14634057 0.89 CDK2 (0.38) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2465754 0.88 CDK9 (0.40) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2464911 0.88 CDK2 (0.40) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2466342 0.84 CDK9 (0.40) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2466508 0.84 CDK9 (0.40) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL14634487 0.84 IKBKB (0.38) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2467824 0.84 CDK9 (0.42) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL14633768 0.78 PTGS2 (0.37) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL2471137 0.78 CDK2 (0.36) CDK2CDK9PTGS2CCNT1CCNE1
SCHEMBL14633947 0.78 JAK1 (0.39) CDK2CDK9PTGS2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 CDK2 22/4885CDK9 55/4885PTGS2 2583/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CDK2 1/4885CDK9 45/4885PTGS2 3295/4885

“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.