SCHEMBL1924306

SCHEMBL1924306

CC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3ccccc3C#N)c2)c2c(N)ncnn12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.64
▸ NTRK2 Q16620 6/20 0.60
▸ KCNH2 Q12809 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RIPK1 Q13546 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
SCHEMBL1924670 0.91 NTRK1 (0.79) NTRK1NTRK2KDM4EGAARIPK1
SCHEMBL1924896 0.88 NTRK2 (0.69) NTRK1NTRK2KCNH2
SCHEMBL1924225 0.88 NTRK1 (0.67) NTRK1NTRK2KCNH2
SCHEMBL1925029 0.87 NTRK1 (0.66) NTRK1NTRK2KCNH2
SCHEMBL1925592 0.87 NTRK1 (0.65) NTRK1NTRK2
SCHEMBL1924102 0.87 NTRK1 (0.70) NTRK1NTRK2KCNH2
SCHEMBL1924907 0.86 NTRK1 (0.64) NTRK1NTRK2RIPK1
SCHEMBL1925611 0.84 NTRK1 (0.71) NTRK1NTRK2
SCHEMBL14537222 0.84 NTRK1 (0.67) NTRK1NTRK2KCNH2
SCHEMBL1924948 0.83 NTRK1 (0.69) NTRK1NTRK2KCNH2

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 6 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-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 1/4885KCNH2 1482/4885

“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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