SCHEMBL1924670

SCHEMBL1924670

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.79
▸ NTRK2 Q16620 5/20 0.73
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PIK3R2 O00459 1/20 0.43
▸ RIPK1 Q13546 2/20 0.42
▸ CXCR2 P25025 1/20 0.40
▸ ERBB4 Q15303 4/20 0.39
▸ EGFR P00533 3/20 0.39
▸ ERBB2 P04626 3/20 0.39
▸ ERBB3 P21860 3/20 0.39
▸ TEK Q02763 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ KDR P35968 3/20 0.38
▸ PLK4 O00444 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
SCHEMBL1924306 0.91 NTRK1 (0.64) NTRK1NTRK2KDM4EGAARIPK1
SCHEMBL1924757 0.89 NTRK1 (1.00) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL13869083 0.88 NTRK1 (0.85) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924099 0.88 NTRK1 (0.85) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1926837 0.88 NTRK1 (0.83) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924752 0.88 NTRK1 (0.83) NTRK1NTRK2ALDH1A1PDGFRBRIPK1
SCHEMBL3970717 0.88 NTRK2 (0.85) NTRK1NTRK2PDGFRBPIK3R2ERBB4
SCHEMBL1925015 0.87 NTRK1 (0.82) NTRK1NTRK2PDGFRBERBB4EGFR
SCHEMBL1924838 0.87 NTRK1 (0.82) NTRK1NTRK2KDM4EGAAPDGFRB
SCHEMBL1925031 0.86 NTRK1 (0.81) NTRK1NTRK2ALDH1A1PDGFRBPIK3R2

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 1/4885KDM4E 1765/4885

“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