SCHEMBL13869073

SCHEMBL13869073

CN(C)CC#Cc1cc(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c2c(N)ncnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.50
▸ NTRK2 Q16620 4/20 0.47
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ AURKA O14965 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ EGLN2 Q96KS0 3/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ NR1I3 Q14994 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ PDGFRB P09619 1/20 0.34

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
SCHEMBL12537701 0.85 NTRK2 (0.55) NTRK1NTRK2CSNK2A2CSNK2A1AURKA
SCHEMBL13869055 0.83 MAPK14 (0.47) NTRK1NTRK2CSNK2A2CSNK2A1MAPK14
SCHEMBL1926089 0.81 NTRK2 (0.72) NTRK1NTRK2MAPK14AURKAATM
SCHEMBL1925959 0.79 NTRK1 (0.50) NTRK1NTRK2CSNK2A2CSNK2A1MAPK14
SCHEMBL1926383 0.74 NTRK1 (0.44) NTRK1NTRK2MAPK14AURKARPS6KB1
SCHEMBL13869072 0.72 CSNK2A2 (0.41) CSNK2A2CSNK2A1MAPK14
SCHEMBL1925817 0.71 NTRK1 (0.59) NTRK1NTRK2ATM
SCHEMBL1924680 0.68 NTRK1 (0.83) NTRK1NTRK2CSNK2A2CSNK2A1AURKA
SCHEMBL1924695 0.68 NTRK1 (0.85) NTRK1NTRK2AURKARPS6KB1PDGFRB
SCHEMBL13869077 0.68 NTRK1 (0.44) NTRK1NTRK2CSNK2A2CSNK2A1

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 1/4885CSNK2A2 621/4885

“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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