SCHEMBL1926391

SCHEMBL1926391

Cn1nc(C2CC2)cc1NC(=O)Nc1cccc(C(=O)c2ccn3ncnc(N)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 10/20 0.55
▸ AURKA O14965 9/20 0.55
▸ NTRK2 Q16620 4/20 0.51
▸ NTRK1 P04629 3/20 0.51
▸ EGFR P00533 2/20 0.51
▸ ERBB4 Q15303 2/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ MARK3 P27448 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ GSK3A P49840 1/20 0.51

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 0.86 NTRK1 (0.57) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL1924527 0.85 NTRK1 (0.56) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL1924646 0.84 NTRK1 (0.73) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL14537181 0.84 AURKB (0.51) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL12537487 0.82 NTRK2 (0.55) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL1925959 0.80 NTRK1 (0.50) AURKBAURKANTRK2NTRK1EGFR
SCHEMBL1924683 0.78 KCNJ6 (0.49) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL1924023 0.73 NTRK1 (0.57) NTRK2NTRK1PIK3CDKCNJ6KCNJ3
SCHEMBL1924584 0.73 NTRK1 (0.62) NTRK2NTRK1KDRFLT3PIK3CD
SCHEMBL710921 0.72 AURKB (0.94) AURKBAURKANTRK2NTRK1EGFR

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 9 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
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-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US 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
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — 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 AURKB 243/4885AURKA 222/4885NTRK2 1/4885

“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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