SCHEMBL14633947

SCHEMBL14633947

CNc1nc(Nc2cc(OC)cc(S(C)(=O)=O)c2)ncc1-c1n[nH]c2cc(C)c(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.39
JAK3 P52333 7/20 0.39
JAK2 O60674 5/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
LRRK2 Q5S007 4/20 0.37
CYP3A4 P08684 3/20 0.37
SYK P43405 2/20 0.37
MAP2K4 P45985 1/20 0.36
GAK O14976 1/20 0.36
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
SCHEMBL14634249 0.95 CDK9 (0.40) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14634045 0.90 JAK1 (0.38) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14634057 0.89 CDK2 (0.38) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14634222 0.89 RIPK2 (0.43) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14633508 0.87 JAK1 (0.38) JAK1JAK3JAK2CDK2CDK9
SCHEMBL2467714 0.87 JAK1 (0.40) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14634215 0.85 CDK2 (0.39) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14633760 0.85 CCNT1 (0.37) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14633989 0.85 SYK (0.42) JAK1JAK3JAK2CDK2CDK9
SCHEMBL14633563 0.85 CDK2 (0.39) JAK1JAK3JAK2CDK2CDK9

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 JAK1 58/4885JAK3 102/4885JAK2 45/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 JAK1 93/4885JAK3 107/4885JAK2 98/4885

“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.