SCHEMBL12537481

SCHEMBL12537481

Nc1cccc(C(=O)c2cc(Br)n3ncnc(N)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.51
▸ NTRK2 Q16620 4/20 0.47
▸ PBRM1 Q86U86 1/20 0.42
▸ CSNK2A2 P19784 4/20 0.42
▸ CSNK2A1 P68400 4/20 0.42
▸ TNK2 Q07912 7/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ ESRRA P11474 1/20 0.35

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
SCHEMBL12537733 0.85 NTRK1 (0.53) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1
SCHEMBL13869070 0.83 NTRK1 (0.48) NTRK1NTRK2CSNK2A2CSNK2A1TNK2
SCHEMBL13869078 0.82 NTRK1 (0.51) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1
SCHEMBL12537729 0.82 NTRK1 (0.48) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1
SCHEMBL12537587 0.82 NTRK1 (0.73) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1
SCHEMBL12537482 0.80 NTRK2 (0.53) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1
SCHEMBL1925784 0.78 NTRK2 (0.78) NTRK1NTRK2NPC1LMNA
SCHEMBL19279707 0.77 CSNK2A2 (0.39) NTRK1CSNK2A2CSNK2A1PIK3CD
SCHEMBL14651915 0.77 NTRK1 (0.38) NTRK1NTRK2CSNK2A2CSNK2A1TNK2
SCHEMBL13869055 0.77 MAPK14 (0.47) NTRK1NTRK2PBRM1CSNK2A2CSNK2A1

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 3/4885NTRK2 1/4885PBRM1 1011/4885

“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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