SCHEMBL1925592

SCHEMBL1925592

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.65
▸ NTRK2 Q16620 5/20 0.61
▸ AHR P35869 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KIT P10721 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ TEK Q02763 2/20 0.40
▸ ERBB4 Q15303 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40

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
SCHEMBL1925031 0.90 NTRK1 (0.81) NTRK1NTRK2AHRRAB9ANPC1
SCHEMBL1924896 0.89 NTRK2 (0.69) NTRK1NTRK2RAB9ANPC1SMN1; SMN2
SCHEMBL1924225 0.89 NTRK1 (0.67) NTRK1NTRK2
SCHEMBL1924907 0.87 NTRK1 (0.64) NTRK1NTRK2
SCHEMBL1924306 0.87 NTRK1 (0.64) NTRK1NTRK2
SCHEMBL12537492 0.85 NTRK2 (0.51) NTRK1NTRK2AHRRAB9ANPC1
SCHEMBL3980576 0.85 NTRK1 (0.69) NTRK1NTRK2KDRERBB4AURKA
SCHEMBL1925611 0.85 NTRK1 (0.71) NTRK1NTRK2RAB9ANPC1POLB
SCHEMBL1924558 0.85 NTRK1 (0.61) NTRK1NTRK2RAB9ANPC1SMN1; SMN2
SCHEMBL14537222 0.85 NTRK1 (0.67) NTRK1NTRK2KDR

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 3 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

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 1/4885AHR 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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