SCHEMBL15533588

SCHEMBL15533588

CC(C)N(Cc1cccc(-c2ncc(Br)s2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 7/20 0.60
▸ KDR P35968 1/20 0.44
▸ ROCK2 O75116 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ PSMB5 P28074 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GCGR P47871 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL15533901 0.90 NTRK1 (0.75) NTRK1ROCK2FBP1PSMB5HTR2A
SCHEMBL15533135 0.88 NTRK1 (0.78) NTRK1KDRROCK2PSMB5ALDH1A1
SCHEMBL15534366 0.80 NTRK1 (0.75) NTRK1ROCK2PSMB5
SCHEMBL15533167 0.78 NTRK1 (0.78) NTRK1ROCK2PSMB5
SCHEMBL15534953 0.78 NTRK1 (0.78) NTRK1ROCK2PSMB5
SCHEMBL15534958 0.77 NTRK1 (0.75) NTRK1ROCK2PSMB5
SCHEMBL15533843 0.75 NTRK1 (1.00) NTRK1ROCK2PSMB5
SCHEMBL15534108 0.73 NTRK1 (0.70) NTRK1ROCK2
SCHEMBL15534372 0.73 NTRK1 (0.69) NTRK1KDRROCK2ROCK1
SCHEMBL15533170 0.73 NTRK1 (0.77) NTRK1ROCK2PSMB5

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 57/4885ROCK2 1634/4885

“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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