SCHEMBL2468022

SCHEMBL2468022

CNc1nc(Nc2cc(N3CCCC3)cc(S(C)(=O)=O)c2)ncc1-c1n[nH]c2c(F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
JAK1 P23458 8/20 0.49
JAK3 P52333 4/20 0.44
PAK1 Q13153 6/20 0.43
BRD4 O60885 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL14634149 0.89 CCNT1 (0.43) JAK2JAK1JAK3CCNT1CDK1
SCHEMBL14634077 0.86 JAK1 (0.40) JAK2JAK1JAK3CCNT1CDK1
SCHEMBL14634260 0.85 JAK2 (0.45) JAK2JAK1JAK3PAK1CCNT1
SCHEMBL14633989 0.84 SYK (0.42) JAK2JAK1JAK3CCNT1CDK2
SCHEMBL14634231 0.82 CCNT1 (0.48) JAK2JAK1JAK3CCNT1CDK1
SCHEMBL14634234 0.79 JAK3 (0.42) JAK2JAK1JAK3BRD4CCNT1
SCHEMBL14634005 0.77 LRRK2 (0.42) CCNT1CDK2CDK9
SCHEMBL14634185 0.77 EPHB4 (0.49) JAK2JAK1JAK3PAK1
SCHEMBL2463301 0.77 JAK2 (0.42) JAK2JAK1JAK3PAK1
SCHEMBL14633643 0.77 CDK2 (0.39) JAK2JAK1JAK3CCNT1CDK1

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

“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.