SCHEMBL1925817

SCHEMBL1925817

CN(C)CC#Cc1cc(C(=O)c2cncc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)c2c(N)ncnn12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.59
▸ NTRK2 Q16620 5/20 0.59
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL1926089 0.91 NTRK2 (0.72) NTRK1NTRK2LMNAEGFRERBB2
SCHEMBL12537616 0.87 NTRK1 (0.68) NTRK1NTRK2LMNAEGFRERBB2
SCHEMBL1926383 0.85 NTRK1 (0.44) NTRK1NTRK2LMNAALDH1A1EGFR
SCHEMBL1925123 0.83 NTRK2 (0.81) NTRK1NTRK2LMNAEGFRERBB2
SCHEMBL1924709 0.78 NTRK2 (0.64) NTRK1NTRK2LMNAALDH1A1EGFR
SCHEMBL3977996 0.77 NTRK2 (0.63) NTRK1NTRK2LMNAEGFRERBB2
SCHEMBL13885180 0.77 NTRK2 (0.83) NTRK1NTRK2LMNAEGFRERBB2
SCHEMBL1926038 0.76 NTRK2 (0.72) NTRK1NTRK2EGFRERBB2ERBB3
SCHEMBL1924640 0.74 NTRK2 (1.00) NTRK1NTRK2LMNAALDH1A1EGFR
SCHEMBL13869055 0.74 MAPK14 (0.47) NTRK1NTRK2LMNANPC1

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 10 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-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
EP-1948664-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-30 — — EP disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO 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 1/4885LMNA 3727/4885

“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