SCHEMBL1924760

SCHEMBL1924760

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3OCCN3CCOCC3)c2)c2c(N)ncnn12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.67
▸ NTRK2 Q16620 4/20 0.62
▸ MAPK14 Q16539 6/20 0.45
▸ EPHX2 P34913 3/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK13 O15264 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ MAPK11 Q15759 2/20 0.42
▸ TNF P01375 2/20 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
SCHEMBL1925563 0.92 NTRK1 (0.67) NTRK1NTRK2EPHX2HTR2AHTR2C
SCHEMBL13869085 0.87 NTRK1 (0.75) NTRK1NTRK2KITKDRFLT3
SCHEMBL1924217 0.86 NTRK2 (0.71) NTRK1NTRK2EPHX2KDR
SCHEMBL1925031 0.85 NTRK1 (0.81) NTRK1NTRK2KITKDRFLT3
SCHEMBL1924692 0.84 NTRK1 (0.49) NTRK1NTRK2MAPK14HTR2AHTR2C
SCHEMBL1924757 0.81 NTRK1 (1.00) NTRK1NTRK2MAPK14KITKDR
SCHEMBL13869083 0.81 NTRK1 (0.85) NTRK1NTRK2KITKDRFLT3
SCHEMBL1924099 0.81 NTRK1 (0.85) NTRK1NTRK2KITKDRFLT3
SCHEMBL1924584 0.81 NTRK1 (0.62) NTRK1NTRK2EPHX2KDRFLT3
SCHEMBL3970717 0.80 NTRK2 (0.85) NTRK1NTRK2MAPK14KITKDR

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 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
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
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
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 1/4885MAPK14 435/4885

“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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