SCHEMBL12537487

SCHEMBL12537487

CN(C)Cc1cc(C(=O)c2cccc(NC(=O)Nc3cc(C4CC4)nn3C)c2)c2c(N)ncnn12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 4/20 0.55
▸ NTRK1 P04629 3/20 0.55
▸ PIK3CD O00329 1/20 0.45
▸ KCNJ6 P48051 8/20 0.41
▸ KCNJ3 P48549 8/20 0.41
▸ KCNJ5 P48544 4/20 0.39
▸ EGFR P00533 3/20 0.38
▸ ERBB2 P04626 3/20 0.38
▸ ERBB3 P21860 3/20 0.38
▸ TEK Q02763 3/20 0.38
▸ ERBB4 Q15303 3/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 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
SCHEMBL1924036 0.88 NTRK1 (0.57) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL1925959 0.87 NTRK1 (0.50) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL1924527 0.87 NTRK1 (0.56) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL14537179 0.86 NTRK2 (0.56) NTRK2NTRK1PIK3CDEGFRERBB2
SCHEMBL1924646 0.86 NTRK1 (0.73) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL1926391 0.82 AURKB (0.55) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL13885180 0.79 NTRK2 (0.83) NTRK2NTRK1EGFRERBB2ERBB3
SCHEMBL1924683 0.79 KCNJ6 (0.49) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL12537701 0.77 NTRK2 (0.55) NTRK2NTRK1PDGFRBAURKAAURKB
SCHEMBL12537482 0.76 NTRK2 (0.53) NTRK2NTRK1PIK3CDCSNK2A2CSNK2A1

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
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
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

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 NTRK2 1/4885NTRK1 3/4885PIK3CD 393/4885

“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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