SCHEMBL15533135

SCHEMBL15533135

CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.78
▸ KDR P35968 1/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ CTSA P10619 3/20 0.40
▸ KCNB1 Q14721 2/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PSMB5 P28074 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GCGR P47871 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
SCHEMBL15534953 0.90 NTRK1 (0.78) NTRK1FFAR1CTSAKCNB1KCNA5
SCHEMBL15533167 0.90 NTRK1 (0.78) NTRK1FFAR1CTSAKCNB1KCNA5
SCHEMBL15534958 0.89 NTRK1 (0.75) NTRK1FFAR1CTSAKCNB1KCNA5
SCHEMBL15533588 0.88 NTRK1 (0.60) NTRK1KDRPSMB5ROCK2ALDH1A1
SCHEMBL15533843 0.88 NTRK1 (1.00) NTRK1FFAR1KCNB1KCNA5KCNH2
SCHEMBL16714202 0.82 NTRK1 (0.89) NTRK1FFAR1KCNB1KCNA5KCNH2
SCHEMBL15533674 0.81 NTRK1 (0.62) NTRK1FFAR1KCNB1KCNA5KCNH2
SCHEMBL15545393 0.81 NTRK1 (0.87) NTRK1KDRFFAR1KCNB1KCNA5
SCHEMBL15546467 0.81 NTRK1 (0.87) NTRK1FFAR1KCNB1KCNA5KCNH2
SCHEMBL16714193 0.81 NTRK1 (0.65) NTRK1FFAR1CTSAKCNB1ROCK2

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 3/4885KDR 57/4885FFAR1 1395/4885

“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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