SCHEMBL1925867

SCHEMBL1925867

COc1cccc(NC(=O)Nc2cccc(C(=O)c3cc(C(C)C)n4ncnc(N)c34)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.83
▸ NTRK2 Q16620 5/20 0.79
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MITF O75030 1/20 0.50
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ TEK Q02763 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ AURKA O14965 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43

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
SCHEMBL1926377 0.94 NTRK1 (0.85) NTRK1NTRK2NPC1RAB9AMITF
SCHEMBL1924757 0.91 NTRK1 (1.00) NTRK1NTRK2PDGFRBKITKDR
SCHEMBL1925031 0.90 NTRK1 (0.81) NTRK1NTRK2NPC1RAB9APDGFRB
SCHEMBL1924019 0.90 NTRK1 (0.86) NTRK1NTRK2NPC1RAB9AMITF
SCHEMBL1925269 0.89 NTRK1 (0.88) NTRK1NTRK2PDGFRBKITKDR
SCHEMBL1925131 0.89 NTRK2 (1.00) NTRK1NTRK2NPC1RAB9APDGFRB
SCHEMBL1924937 0.88 NTRK1 (0.88) NTRK1NTRK2PDGFRBKITKDR
SCHEMBL1924415 0.88 NTRK1 (0.86) NTRK1NTRK2PDGFRBKITKDR
SCHEMBL1924684 0.88 NTRK1 (0.89) NTRK1NTRK2PDGFRBKITKDR
SCHEMBL1925471 0.88 NTRK1 (0.86) NTRK1NTRK2NPC1RAB9APDGFRB

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 claimed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US claimed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US claimed
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 NTRK1 3/4885NTRK2 1/4885NPC1 3571/4885

“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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