SCHEMBL3978760

SCHEMBL3978760

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3cc(C4CC4)n[nH]3)c2)c2c(N)ncnn12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.72
▸ NTRK2 Q16620 4/20 0.67
▸ PDGFRB P09619 1/20 0.42
▸ EGFR P00533 5/20 0.40
▸ ERBB2 P04626 5/20 0.40
▸ ERBB3 P21860 5/20 0.40
▸ ERBB4 Q15303 5/20 0.40
▸ TEK Q02763 4/20 0.40
▸ KDR P35968 3/20 0.39
▸ RET P07949 2/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ TNK2 Q07912 3/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL14537338 0.90 NTRK1 (0.56) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924932 0.86 NTRK1 (0.72) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL14537179 0.86 NTRK2 (0.56) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924646 0.85 NTRK1 (0.73) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924757 0.84 NTRK1 (1.00) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL14537181 0.83 AURKB (0.51) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1925471 0.83 NTRK1 (0.86) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924665 0.82 NTRK1 (0.84) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1925247 0.82 NTRK1 (0.88) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924937 0.82 NTRK1 (0.88) NTRK1NTRK2PDGFRBEGFRERBB2

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-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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 (1 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 NTRK1 3/4885NTRK2 1/4885PDGFRB 58/4885

“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.

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