SCHEMBL13869083

SCHEMBL13869083

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3O)c2)c2c(N)ncnn12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.85
▸ NTRK2 Q16620 6/20 0.78
▸ PDGFRB P09619 1/20 0.46
▸ ERBB4 Q15303 7/20 0.41
▸ EGFR P00533 6/20 0.41
▸ ERBB2 P04626 5/20 0.41
▸ ERBB3 P21860 5/20 0.41
▸ TEK Q02763 4/20 0.41
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ KDR P35968 6/20 0.40
▸ LCK P06239 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ LYN P07948 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 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
SCHEMBL1924757 0.92 NTRK1 (1.00) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924099 0.91 NTRK1 (0.85) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL3970717 0.91 NTRK2 (0.85) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1926837 0.91 NTRK1 (0.83) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1925015 0.90 NTRK1 (0.82) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924838 0.90 NTRK1 (0.82) NTRK1NTRK2PDGFRBTEKKDR
SCHEMBL1925031 0.89 NTRK1 (0.81) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1925139 0.88 NTRK1 (0.79) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924670 0.88 NTRK1 (0.79) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1925939 0.88 NTRK2 (0.81) NTRK1NTRK2PDGFRBERBB4EGFR

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
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 NTRK1 3/4885NTRK2 1/4885PDGFRB 58/4885

“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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