SCHEMBL12537492

SCHEMBL12537492

COc1ccccc1NC(=O)Nc1cncc(C(=O)c2cc(CN(C)C)n3ncnc(N)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 5/20 0.51
▸ NTRK1 P04629 5/20 0.51
▸ AHR P35869 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TEK Q02763 2/20 0.38
▸ KIT P10721 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ERBB4 Q15303 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38

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
SCHEMBL1926383 0.87 NTRK1 (0.44) NTRK2NTRK1AHRPOLBHPGD
SCHEMBL1925592 0.85 NTRK1 (0.65) NTRK2NTRK1AHRPOLBHPGD
SCHEMBL12537616 0.84 NTRK1 (0.68) NTRK2NTRK1POLBMAPTKMT2A
SCHEMBL12537484 0.76 NTRK1 (0.48) NTRK2NTRK1
SCHEMBL4708490 0.76 NTRK1 (0.52) NTRK2NTRK1KITKDRERBB4
SCHEMBL1925031 0.76 NTRK1 (0.81) NTRK2NTRK1AHRPOLBHPGD
SCHEMBL4711702 0.75 NTRK1 (0.50) NTRK2NTRK1POLBMAPTLMNA
SCHEMBL13885180 0.75 NTRK2 (0.83) NTRK2NTRK1NPSR1MAPTKMT2A
SCHEMBL1924896 0.74 NTRK2 (0.69) NTRK2NTRK1LMNASMN1; SMN2RAB9A
SCHEMBL1924225 0.74 NTRK1 (0.67) NTRK2NTRK1

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 4 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
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 NTRK2 1/4885NTRK1 3/4885AHR 1534/4885

“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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