SCHEMBL15534347

SCHEMBL15534347

COc1ccc(NC(=O)N(Cc2cccc(-c3nccs3)c2)C(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.80
ROCK2 O75116 2/20 0.57
KCNB1 Q14721 6/20 0.48
KCNA5 P22460 2/20 0.48
KCNH2 Q12809 1/20 0.48
FFAR1 O14842 1/20 0.46
ADORA2A P29274 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
PSMB5 P28074 3/20 0.43
CYP2C9 P11712 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPA Q5VT25 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
SCHEMBL15533652 0.92 NTRK1 (0.79) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15533436 0.92 NTRK1 (0.79) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15533360 0.90 NTRK1 (0.79) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL16714214 0.90 NTRK1 (0.77) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15546824 0.90 NTRK1 (0.76) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL16714194 0.89 NTRK1 (0.76) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15533533 0.89 NTRK1 (0.75) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15533843 0.89 NTRK1 (1.00) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15534547 0.89 NTRK1 (0.74) NTRK1ROCK2KCNB1KCNA5KCNH2
SCHEMBL15533086 0.89 NTRK1 (0.74) NTRK1ROCK2KCNB1KCNA5KCNH2

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 3/4885ROCK2 1634/4885KCNB1 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.