SCHEMBL3980576

SCHEMBL3980576

CC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3ccc(F)cc3)c2)c2c(N)ncnn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.69
▸ NTRK2 Q16620 4/20 0.64
▸ AURKB Q96GD4 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ KDR P35968 3/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL1924948 0.91 NTRK1 (0.69) NTRK1NTRK2KDRRET
SCHEMBL1924558 0.91 NTRK1 (0.61) NTRK1NTRK2AURKBAURKAKDR
SCHEMBL1924266 0.90 NTRK1 (0.67) NTRK1NTRK2AURKBAURKAKDR
SCHEMBL14537222 0.89 NTRK1 (0.67) NTRK1NTRK2KDRRET
SCHEMBL1925029 0.89 NTRK1 (0.66) NTRK1NTRK2
SCHEMBL1925269 0.89 NTRK1 (0.88) NTRK1NTRK2AURKBAURKAKDR
SCHEMBL1924225 0.88 NTRK1 (0.67) NTRK1NTRK2
SCHEMBL1925611 0.88 NTRK1 (0.71) NTRK1NTRK2AURKAKDRLCK
SCHEMBL1925592 0.85 NTRK1 (0.65) NTRK1NTRK2AURKAKDREGFR
SCHEMBL1925017 0.85 NTRK1 (0.63) NTRK1NTRK2

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 2 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

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 1/4885AURKB 243/4885

“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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