SCHEMBL1925441

SCHEMBL1925441

CC(C)c1cc(C(=O)c2cccc(NC(=O)N[C@H](C)c3ccccc3)c2)c2c(N)ncnn12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.83
▸ NTRK2 Q16620 5/20 0.77
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.44
▸ PDGFRB P09619 1/20 0.43
▸ KDR P35968 3/20 0.41
▸ RET P07949 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ INSR P06213 1/20 0.39

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
SCHEMBL1925521 1.00 NTRK1 (0.83) NTRK1NTRK2ALDH1A1TSHRMTOR
SCHEMBL1923992 0.93 NTRK1 (0.83) NTRK1NTRK2ALDH1A1TSHRMTOR
SCHEMBL1924757 0.91 NTRK1 (1.00) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL3980180 0.88 NTRK1 (0.80) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL1925131 0.87 NTRK2 (1.00) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL1924486 0.87 NTRK1 (0.91) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL1924937 0.86 NTRK1 (0.88) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL1924684 0.86 NTRK1 (0.89) NTRK1NTRK2ALDH1A1TSHRPDGFRB
SCHEMBL1924415 0.86 NTRK1 (0.86) NTRK1NTRK2PDGFRBKDRRET
SCHEMBL1925471 0.86 NTRK1 (0.86) NTRK1NTRK2ALDH1A1PDGFRBKDR

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 1/4885ALDH1A1 2051/4885

“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