SCHEMBL17129762

SCHEMBL17129762

C[C@@H](O)c1ccn2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)CF)cc3F)c(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.56

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
SCHEMBL17114002 0.93 NTRK1 (0.63) NTRK1
SCHEMBL18763095 0.93 NTRK1 (0.63) NTRK1
SCHEMBL22782712 0.88 NTRK1 (0.58) NTRK1
SCHEMBL17129756 0.85 NTRK1 (0.56) NTRK1
SCHEMBL22769439 0.85 NTRK1 (0.56) NTRK1
SCHEMBL17114017 0.85 NTRK1 (0.60) NTRK1
SCHEMBL18763115 0.85 NTRK1 (0.60) NTRK1
SCHEMBL17129724 0.82 NTRK1 (0.69) NTRK1
SCHEMBL17129778 0.82 NTRK1 (0.69) NTRK1
SCHEMBL18763088 0.82 NTRK1 (0.69) NTRK1

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
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
US-9862716-B2 TRKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-9862716-B2 TRKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015148373-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO 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-20170114056-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK2 NTRK1 4/4885

“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.