SCHEMBL12537596

SCHEMBL12537596

COC(=O)c1cc(Br)n2ncnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 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
SCHEMBL12285417 0.85 KDM4E (0.45) CSNK1DCSNK2A2CSNK2A1KMT2AMEN1
SCHEMBL14537333 0.84 NTRK1 (0.44) NTRK1KDRPLK4AURKADAPK3
SCHEMBL21199390 0.84 CSNK2A2 (0.40) NTRK1AURKANTRK2PIK3CDCSNK2A2
SCHEMBL13869022 0.83 KDR (0.37) KDRABL1PIK3CD
SCHEMBL14651915 0.82 NTRK1 (0.38) NTRK1FGFR1NTRK2PIK3CDCSNK2A2
SCHEMBL19279707 0.82 CSNK2A2 (0.39) NTRK1FGFR1PIK3CDCSNK2A2CSNK2A1
SCHEMBL12283330 0.82 CSNK2A2 (0.43) NTRK1FGFR1FGFR3PIK3CDCSNK2A2
SCHEMBL28508014 0.81 NTRK1 (0.38) NTRK1FGFR1NTRK2PIK3CDCSNK2A2
SCHEMBL27315059 0.81 NTRK1 (0.56) NTRK1KDRPLK4AURKADAPK3
SCHEMBL30334336 0.80 CSNK2A2 (0.36) NTRK1NTRK2PIK3CDCSNK2A2CSNK2A1

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 6 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-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
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 3/4885KDR 6/4885PLK4 134/4885

“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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