SCHEMBL2465754

SCHEMBL2465754

COc1cc(Nc2ncc(-c3n[nH]c4cc(F)c(F)cc34)c(N)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.40
CDK2 P24941 5/20 0.40
MAP2K4 P45985 2/20 0.37
PTGS2 P35354 1/20 0.36
CCNT1 O60563 2/20 0.36
CCNE1 P24864 2/20 0.36
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL2467824 0.90 CDK9 (0.42) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL14634249 0.90 CDK9 (0.40) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL2468102 0.88 CDK2 (0.39) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL2467708 0.88 CDK2 (0.39) CDK9CDK2PTGS2CCNT1CCNE1
SCHEMBL2464911 0.86 CDK2 (0.40) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL2466342 0.85 CDK9 (0.40) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL2466508 0.85 CDK9 (0.40) CDK9CDK2MAP2K4PTGS2CCNT1
SCHEMBL14633947 0.84 JAK1 (0.39) CDK9CDK2MAP2K4PTGS2LRRK2
SCHEMBL14634487 0.83 IKBKB (0.38) CDK9CDK2PTGS2CCNT1CCNE1
SCHEMBL2470494 0.82 KDR (0.53) AURKALCKKDRAURKBSYK

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 CDK9 55/4885CDK2 22/4885MAP2K4 194/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CDK9 45/4885CDK2 1/4885MAP2K4 286/4885

“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.