SCHEMBL15533279

SCHEMBL15533279

CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.69
▸ UBE2M P61081 12/20 0.46
▸ DCUN1D1 Q96GG9 12/20 0.46
▸ KCNB1 Q14721 2/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 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
SCHEMBL15534178 0.89 NTRK1 (0.79) NTRK1KCNB1KCNA5KCNH2
SCHEMBL15533331 0.84 NTRK1 (0.64) NTRK1UBE2MDCUN1D1KCNB1KCNA5
SCHEMBL15533890 0.84 NTRK1 (0.72) NTRK1UBE2MDCUN1D1KCNB1KCNA5
SCHEMBL15533254 0.84 NTRK1 (0.63) NTRK1UBE2MDCUN1D1KCNB1KCNA5
SCHEMBL15533493 0.84 NTRK1 (0.73) NTRK1KCNB1KCNA5KCNH2
SCHEMBL15533681 0.83 NTRK1 (0.73) NTRK1KCNB1KCNA5KCNH2KDR
SCHEMBL16714218 0.83 NTRK1 (0.78) NTRK1KCNB1KCNA5KCNH2
SCHEMBL15533437 0.83 NTRK1 (0.78) NTRK1KCNB1KCNA5KCNH2
SCHEMBL15533564 0.83 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2
SCHEMBL15534253 0.82 NTRK1 (0.77) NTRK1KCNB1KCNA5KCNH2

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 9 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-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
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 3/4885UBE2M 2122/4885DCUN1D1 4738/4885

“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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