SCHEMBL1925139

SCHEMBL1925139

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3C(F)(F)F)c2)c2c(N)ncnn12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.79
▸ NTRK2 Q16620 4/20 0.73
▸ RIPK1 Q13546 6/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ PIK3R2 O00459 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ERBB3 P21860 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ PIK3CD O00329 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
SCHEMBL1924907 0.91 NTRK1 (0.64) NTRK1NTRK2RIPK1
SCHEMBL1926837 0.89 NTRK1 (0.83) NTRK1NTRK2PDGFRBAURKARPS6KB1
SCHEMBL1924757 0.89 NTRK1 (1.00) NTRK1NTRK2PDGFRBAURKARPS6KB1
SCHEMBL1924701 0.88 NTRK1 (0.82) NTRK1NTRK2RIPK1PDGFRBAURKA
SCHEMBL1924099 0.88 NTRK1 (0.85) NTRK1NTRK2PDGFRBAURKARPS6KB1
SCHEMBL13869083 0.88 NTRK1 (0.85) NTRK1NTRK2PDGFRBAURKARPS6KB1
SCHEMBL1924204 0.88 NTRK1 (0.83) NTRK1NTRK2RIPK1PDGFRBAURKA
SCHEMBL3970717 0.88 NTRK2 (0.85) NTRK1NTRK2PDGFRBPIK3R2AURKA
SCHEMBL1925015 0.87 NTRK1 (0.82) NTRK1NTRK2PDGFRBAURKARPS6KB1
SCHEMBL1924838 0.87 NTRK1 (0.82) NTRK1NTRK2PDGFRBTEKERN1

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 1/4885RIPK1 400/4885

“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.

Send feedback