SCHEMBL14633684

SCHEMBL14633684

Cc1cc(Nc2ncc(-c3n[nH]c4cc(C)ccc34)c(N)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.37
MAP2K4 P45985 2/20 0.37
MAP2K7 O14733 1/20 0.36
ATR Q13535 1/20 0.36
RIPK2 O43353 1/20 0.36
NOD2 Q9HC29 1/20 0.36
SGK1 O00141 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3C2G O75747 2/20 0.35
PIK3CG P48736 2/20 0.35
EPHB4 P54760 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
PTGS2 P35354 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
SCHEMBL14633978 0.91 EPHB4 (0.41) ITKATRCCNT1CCNE1CDK2
SCHEMBL2468102 0.88 CDK2 (0.39) MAP2K4MAP2K7CCNT1CCNE1CDK2
SCHEMBL2471505 0.86 RIPK2 (0.42) ITKMAP2K4MAP2K7RIPK2CCNT1
SCHEMBL14633971 0.85 SGK1 (0.39) ITKMAP2K4SGK1CDK2JAK1
SCHEMBL14634093 0.84 CDK2 (0.41) CCNT1CCNE1CDK2CDK9JAK3
SCHEMBL2467170 0.82 CDK2 (0.39) CCNT1CCNE1CDK2CDK9JAK1
SCHEMBL14634292 0.79 RIPK2 (0.44) ITKMAP2K4MAP2K7RIPK2NOD2
SCHEMBL14634941 0.77 NPC1 (0.37) RIPK2NOD2CCNT1CCNE1CDK2
SCHEMBL14633760 0.77 CCNT1 (0.37) MAP2K4MAP2K7CCNT1CCNE1CDK2
SCHEMBL14634237 0.77 JAK1 (0.44) RIPK2NOD2CCNT1CCNE1CDK2

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-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
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US 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 ITK 339/4885MAP2K4 194/4885MAP2K7 72/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ITK 454/4885MAP2K4 286/4885MAP2K7 139/4885

“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.