SCHEMBL15534384

SCHEMBL15534384

CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc2c(c1)c(C1CC1)nn2C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.59
KCNB1 Q14721 9/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 1/20 0.43
CASR P41180 1/20 0.40
CACNA1H O95180 1/20 0.38
ROCK2 O75116 1/20 0.38
PORCN Q9H237 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36

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
SCHEMBL15533519 0.81 NTRK1 (0.70) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL15533973 0.81 NTRK1 (0.75) NTRK1KCNB1KCNA5KCNH2CASR
SCHEMBL16714194 0.79 NTRK1 (0.76) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL15533533 0.79 NTRK1 (0.75) NTRK1KCNB1KCNA5KCNH2CASR
SCHEMBL16714195 0.78 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2CASR
SCHEMBL15532866 0.78 NTRK1 (0.70) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL15533086 0.78 NTRK1 (0.74) NTRK1KCNB1KCNA5KCNH2CASR
SCHEMBL15534547 0.78 NTRK1 (0.74) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL15533539 0.78 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2CASR
SCHEMBL15533140 0.78 NTRK1 (0.77) NTRK1KCNB1KCNA5KCNH2ROCK2

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 3/4885KCNB1 1686/4885KCNA5 3098/4885

“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.