SCHEMBL15533709

SCHEMBL15533709

Cc1ccc(F)c(NC(=O)N(Cc2cccc(-c3nccs3)c2)C(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.65
▸ VCP P55072 1/20 0.44
▸ KCNB1 Q14721 3/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RAB9A P51151 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CARM1 Q86X55 3/20 0.38
▸ PRMT1 Q99873 3/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15533331 0.89 NTRK1 (0.64) NTRK1VCPKCNB1KCNA5KCNH2
SCHEMBL16714194 0.86 NTRK1 (0.76) NTRK1KCNB1KCNA5KCNH2NPSR1
SCHEMBL15533674 0.85 NTRK1 (0.62) NTRK1VCPKCNB1KCNA5KCNH2
SCHEMBL15533793 0.84 NTRK1 (0.71) NTRK1KCNB1KCNA5KCNH2UBE2M
SCHEMBL15533493 0.84 NTRK1 (0.73) NTRK1KCNB1KCNA5KCNH2NPSR1
SCHEMBL15533136 0.83 NTRK1 (0.69) NTRK1KCNB1KCNA5KCNH2
SCHEMBL16714210 0.82 NTRK1 (0.66) NTRK1KCNB1KCNA5KCNH2NPSR1
SCHEMBL15533890 0.81 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2UBE2M
SCHEMBL15533564 0.81 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2NPSR1
SCHEMBL16714205 0.80 NTRK1 (0.80) NTRK1KCNB1KCNA5KCNH2NPSR1

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 3/4885VCP 2340/4885KCNB1 1686/4885

“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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