SCHEMBL2463666

SCHEMBL2463666

CS(=O)(=O)c1cc(Nc2ncc(-c3n[nH]c4ccc(F)cc34)c(N)n2)cc2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.38
NTRK2 Q16620 1/20 0.38
RIPK2 O43353 3/20 0.36
GAK O14976 1/20 0.35
LCK P06239 1/20 0.35
TGFBR1 P36897 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK14 Q16539 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
AHR P35869 1/20 0.34
SYK P43405 3/20 0.33
GRM4 Q14833 1/20 0.33
PTGS2 P35354 1/20 0.33
MAP2K4 P45985 3/20 0.32
MAP2K7 O14733 2/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL14634192 0.83 NTRK1 (0.42) NTRK1NTRK2RIPK2GRM4PTGS2
SCHEMBL14633488 0.83 GRM4 (0.49) NTRK1NTRK2RIPK2GRM4MAP2K4
SCHEMBL2468759 0.82 NTRK1 (0.44) NTRK1NTRK2RIPK2LCKSYK
SCHEMBL14634207 0.81 RIPK2 (0.46) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL14634292 0.81 RIPK2 (0.44) NTRK1NTRK2RIPK2PTGS2MAP2K4
SCHEMBL14633921 0.81 SYK (0.35) SYKPTGS2ITK
SCHEMBL14633733 0.80 PTGS2 (0.49) NTRK1NTRK2RIPK2PTGS2MAP2K4
SCHEMBL2471505 0.80 RIPK2 (0.42) NTRK1NTRK2RIPK2SYKPTGS2
SCHEMBL2467824 0.78 CDK9 (0.42) NTRK1NTRK2RIPK2LCKPTGS2
SCHEMBL14634034 0.78 EPHB4 (0.49) NTRK2RIPK2LCKSYKPTGS2

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 NTRK1 797/4885NTRK2 1690/4885RIPK2 443/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 NTRK1 628/4885NTRK2 1340/4885RIPK2 432/4885

“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.