SCHEMBL15533697

SCHEMBL15533697

COc1cc(OC)c(NC(=O)N(Cc2cccc(-c3nccs3)c2)C(C)C)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.60
MAPT P10636 1/20 0.43
KCNB1 Q14721 3/20 0.43
HPGD P15428 1/20 0.43
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
CTSD P07339 2/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ROCK2 O75116 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
SCHEMBL16714219 0.90 NTRK1 (0.60) NTRK1MAPTKCNB1CTSDMEN1
SCHEMBL15533358 0.88 NTRK1 (0.67) NTRK1KCNB1CTSDKCNA5KCNH2
SCHEMBL16714210 0.87 NTRK1 (0.66) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL16714193 0.87 NTRK1 (0.65) NTRK1MAPTKCNB1CTSDMEN1
SCHEMBL15534190 0.86 NTRK1 (0.60) NTRK1KCNB1CTSDKCNA5KCNH2
SCHEMBL15532886 0.85 NTRK1 (0.65) NTRK1MAPTKCNB1HPGDHCRTR1
SCHEMBL15533780 0.82 NTRK1 (0.59) NTRK1MAPTKCNB1MEN1ALDH1A1
SCHEMBL15534347 0.81 NTRK1 (0.80) NTRK1KCNB1KCNA5KCNH2ROCK2
SCHEMBL15532866 0.81 NTRK1 (0.70) NTRK1MAPTKCNB1KCNA5KCNH2
SCHEMBL15533564 0.81 NTRK1 (0.72) NTRK1KCNB1KCNA5KCNH2ALDH1A1

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 3/4885MAPT 175/4885KCNB1 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.