SCHEMBL14633733

SCHEMBL14633733

CS(=O)(=O)c1ccc(Nc2ncc(-c3n[nH]c4ccc(F)cc34)c(N)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
MAP2K4 P45985 3/20 0.46
MAP2K7 O14733 2/20 0.46
RIPK2 O43353 1/20 0.46
NTRK1 P04629 3/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ITK Q08881 1/20 0.42
CHEK1 O14757 1/20 0.41
PRKD3 O94806 1/20 0.41
CDK8 P49336 1/20 0.41
LIMK1 P53667 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL14634292 0.92 RIPK2 (0.44) PTGS2MAP2K4MAP2K7RIPK2NTRK1
SCHEMBL2471505 0.90 RIPK2 (0.42) PTGS2MAP2K4MAP2K7RIPK2NTRK1
SCHEMBL14634034 0.90 EPHB4 (0.49) PTGS2MAP2K4MAP2K7RIPK2CDK1
SCHEMBL2467824 0.88 CDK9 (0.42) PTGS2MAP2K4MAP2K7RIPK2NTRK1
SCHEMBL14633488 0.88 GRM4 (0.49) MAP2K4MAP2K7RIPK2NTRK1ITK
SCHEMBL2471660 0.88 PTK6 (0.50) PTGS2MAP2K4MAP2K7RIPK2
SCHEMBL2462609 0.87 RIPK2 (0.48) PTGS2MAP2K4MAP2K7RIPK2NTRK1
SCHEMBL2468759 0.87 NTRK1 (0.44) PTGS2MAP2K4MAP2K7RIPK2NTRK1
SCHEMBL14634090 0.85 RIPK2 (0.46) PTGS2MAP2K4RIPK2NTRK1CDK1
SCHEMBL2463301 0.85 JAK2 (0.42) RIPK2NTRK1JAK1JAK3

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 PTGS2 2583/4885MAP2K4 194/4885MAP2K7 72/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 PTGS2 3295/4885MAP2K4 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.