SCHEMBL2471600

SCHEMBL2471600

CNc1nc(Nc2cccc(S(C)(=O)=O)c2)ncc1-c1n[nH]c2ncc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.47
JAK3 P52333 3/20 0.47
EPHB4 P54760 2/20 0.45
CDK9 P50750 4/20 0.44
CCNT1 O60563 3/20 0.44
CDK2 P24941 3/20 0.44
CCNE1 P24864 2/20 0.44
RIPK2 O43353 5/20 0.43
NOD2 Q9HC29 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
PTGS2 P35354 1/20 0.43
PTK2 Q05397 2/20 0.43
NTRK1 P04629 1/20 0.41
JAK2 O60674 1/20 0.41
ACVR1 Q04771 4/20 0.40
CCNB2 O95067 1/20 0.40

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
SCHEMBL14633703 0.89 EPHB4 (0.49) JAK1JAK3EPHB4CDK9CCNT1
SCHEMBL2434666 0.88 PTGS2 (0.38) JAK1JAK3CDK9CCNT1CDK2
SCHEMBL14633531 0.88 CDK2 (0.44) JAK1JAK3EPHB4CDK9CCNT1
SCHEMBL14634194 0.88 JAK1 (0.47) JAK1JAK3EPHB4CDK9CCNT1
SCHEMBL14634215 0.86 CDK2 (0.39) JAK1JAK3CDK9CCNT1CDK2
SCHEMBL14634161 0.85 JAK3 (0.43) JAK1JAK3CDK9CCNT1CDK2
SCHEMBL14633768 0.79 PTGS2 (0.37) JAK1JAK3CDK9CCNT1CDK2
SCHEMBL14634034 0.79 EPHB4 (0.49) JAK1JAK3EPHB4CDK9CCNT1
SCHEMBL2469164 0.79 RIPK2 (0.44) JAK1JAK3EPHB4CDK9CDK2
SCHEMBL2471215 0.78 EPHB4 (0.44) JAK1JAK3EPHB4CDK9CCNT1

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 JAK1 58/4885JAK3 102/4885EPHB4 2462/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 JAK1 93/4885JAK3 107/4885EPHB4 1932/4885

“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.