SCHEMBL16714219

SCHEMBL16714219

COc1ccc(Cl)cc1NC(=O)N(Cc1cccc(-c2nccs2)c1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.60
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
KCNB1 Q14721 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTSD P07339 2/20 0.44
CTSA P10619 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 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
SCHEMBL15533780 0.91 NTRK1 (0.59) NTRK1ALDH1A1KMT2ALMNAMAPT
SCHEMBL16714193 0.90 NTRK1 (0.65) NTRK1ALDH1A1KMT2ALMNAMAPT
SCHEMBL15534190 0.90 NTRK1 (0.60) NTRK1KMT2AKCNB1CTSDCTSA
SCHEMBL15533697 0.90 NTRK1 (0.60) NTRK1ALDH1A1KMT2AMAPTKCNB1
SCHEMBL15532886 0.88 NTRK1 (0.65) NTRK1ALDH1A1KMT2AMAPTKCNB1
SCHEMBL15533358 0.86 NTRK1 (0.67) NTRK1KCNB1CTSD
SCHEMBL15533520 0.86 NTRK1 (0.59) NTRK1KCNB1
SCHEMBL16714210 0.84 NTRK1 (0.66) NTRK1KCNB1NPSR1
SCHEMBL15533564 0.83 NTRK1 (0.72) NTRK1ALDH1A1KCNB1NPSR1SMN1; SMN2
SCHEMBL15534347 0.81 NTRK1 (0.80) NTRK1LMNAKCNB1SMN1; SMN2

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 7 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
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 3/4885ALDH1A1 4641/4885KMT2A 4012/4885

“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.