SCHEMBL15533254

SCHEMBL15533254

CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.63
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNA5 P22460 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KCNB1 Q14721 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTT P42858 1/20 0.39

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 0.91 NTRK1 (0.64) NTRK1UBE2MDCUN1D1KCNA5KCNH2
SCHEMBL15534178 0.87 NTRK1 (0.79) NTRK1MAPTKCNA5KCNH2KCNB1
SCHEMBL16714210 0.87 NTRK1 (0.66) NTRK1KCNA5KCNH2KCNB1NPSR1
SCHEMBL15534174 0.85 NTRK1 (0.71) NTRK1UBE2MDCUN1D1KCNA5KCNH2
SCHEMBL15533279 0.84 NTRK1 (0.69) NTRK1UBE2MDCUN1D1KCNA5KCNH2
SCHEMBL15533167 0.83 NTRK1 (0.78) NTRK1KCNA5KCNH2KCNB1
SCHEMBL15533389 0.83 NTRK1 (0.61) NTRK1KCNA5KCNH2KCNB1NPSR1
SCHEMBL15532866 0.82 NTRK1 (0.70) NTRK1MAPTTP53GAAKCNA5
SCHEMBL15533564 0.82 NTRK1 (0.72) NTRK1SMN1; SMN2KCNA5KCNH2KCNB1
SCHEMBL15532886 0.81 NTRK1 (0.65) NTRK1MAPTKCNA5KCNH2KCNB1

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 3/4885UBE2M 2122/4885DCUN1D1 4738/4885

“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.

Send feedback