SCHEMBL1925354

SCHEMBL1925354

CC(C)c1cc(C(=O)c2cccc(NC(=O)NCCCc3ccccc3)c2)c2c(N)ncnn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.77
▸ NTRK2 Q16620 4/20 0.71
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ AURKA O14965 4/20 0.42
▸ AURKB Q96GD4 4/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL1924735 0.95 NTRK1 (0.79) NTRK1NTRK2KMT2AMEN1LMNA
SCHEMBL1924399 0.90 NTRK1 (0.82) NTRK1NTRK2SMN1; SMN2AURKAAURKB
SCHEMBL1924757 0.87 NTRK1 (1.00) NTRK1NTRK2KMT2AMEN1AURKA
SCHEMBL1926054 0.85 NTRK1 (0.74) NTRK1NTRK2KMT2AMEN1SMN1; SMN2
SCHEMBL1926411 0.85 NTRK1 (0.75) NTRK1NTRK2KMT2AMEN1ALDH1A1
SCHEMBL1925808 0.84 NTRK1 (0.74) NTRK1NTRK2KMT2AMEN1AURKA
SCHEMBL1924006 0.83 NTRK2 (1.00) NTRK1NTRK2KMT2AMEN1SMN1; SMN2
SCHEMBL1925131 0.83 NTRK2 (1.00) NTRK1NTRK2SMN1; SMN2AURKAAURKB
SCHEMBL1924486 0.83 NTRK1 (0.91) NTRK1NTRK2AURKAAURKBCYP3A4
SCHEMBL1924937 0.83 NTRK1 (0.88) NTRK1NTRK2AURKAAURKBPDGFRB

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 1/4885KMT2A 2524/4885

“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