SCHEMBL14634262

SCHEMBL14634262

CNc1nc(Nc2ccc(C)c(S(C)(=O)=O)c2)ncc1-c1n[nH]c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.44
GRM4 Q14833 3/20 0.42
JAK3 P52333 3/20 0.41
NTRK2 Q16620 2/20 0.41
ITK Q08881 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
PRKCG P05129 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 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
SCHEMBL14634112 0.92 GRM4 (0.52) NTRK1GRM4NTRK2ITKLCK
SCHEMBL14633689 0.90 JAK3 (0.44) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL14634161 0.90 JAK3 (0.43) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL2468759 0.90 NTRK1 (0.44) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL14633931 0.86 JAK3 (0.43) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL2469164 0.85 RIPK2 (0.44) NTRK1JAK3NTRK2ITKLCK
SCHEMBL14633703 0.85 EPHB4 (0.49) NTRK1JAK3NTRK2AURKAMAP4K4
SCHEMBL14633954 0.84 JAK3 (0.42) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL14634234 0.84 JAK3 (0.42) NTRK1GRM4JAK3NTRK2ITK
SCHEMBL14633568 0.83 RIPK2 (0.41) NTRK1GRM4NTRK2ITKLCK

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 NTRK1 797/4885GRM4 4019/4885JAK3 102/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 NTRK1 628/4885GRM4 3206/4885JAK3 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.