SCHEMBL15534372

SCHEMBL15534372

COc1ccc(-c2cccc(CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)C(C)C)c2)nc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 7/20 0.69
▸ ROCK2 O75116 2/20 0.57
▸ ABL1 P00519 7/20 0.48
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CDC42BPA Q5VT25 1/20 0.43
▸ BRAF P15056 1/20 0.42

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
SCHEMBL16714211 0.92 NTRK1 (0.67) NTRK1ROCK2ABL1
SCHEMBL15534780 0.91 NTRK1 (0.69) NTRK1ROCK2ABL1BRAF
SCHEMBL15533563 0.91 NTRK1 (0.69) NTRK1ROCK2ABL1BRAF
SCHEMBL15533873 0.91 NTRK1 (0.69) NTRK1ROCK2ABL1BRAF
SCHEMBL15533810 0.91 NTRK1 (0.68) NTRK1ROCK2ABL1BRAF
SCHEMBL15535359 0.91 NTRK1 (0.68) NTRK1ROCK2ABL1BRAF
SCHEMBL15533512 0.91 NTRK1 (0.68) NTRK1ROCK2ABL1BRAF
SCHEMBL15534108 0.90 NTRK1 (0.70) NTRK1ROCK2ABL1DGAT2
SCHEMBL15534097 0.90 NTRK1 (0.67) NTRK1ROCK2ABL1
SCHEMBL15534369 0.89 NTRK1 (0.71) NTRK1ROCK2ABL1DGAT2CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 — — US claimed
EP-2858501-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2015-04-15 — — EP claimed
WO-2013176970-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-11-28 — — WO claimed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 — — US disclosed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 — — US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 — — US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 — — 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-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof NGF, NGFR, NTRK1 NTRK1 3/4885ROCK2 1634/4885ABL1 125/4885

“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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