SCHEMBL18779376

SCHEMBL18779376

Cc1noc(-c2cc(C(=O)Nc3cnc(C)nc3-c3ccccc3)ccc2C)n1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.78
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
NTRK3 Q16288 3/20 0.47
NTRK2 Q16620 1/20 0.47

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
SCHEMBL17110662 0.88 NTRK1 (1.00) NTRK1
SCHEMBL18779374 0.87 NTRK1 (0.79) NTRK1NTRK3NTRK2
SCHEMBL17110698 0.76 NTRK1 (1.00) NTRK1
SCHEMBL17110693 0.74 NTRK1 (1.00) NTRK1
SCHEMBL16585348 0.73 NTRK1 (0.85) NTRK1NTRK3NTRK2
SCHEMBL16586807 0.72 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL18779371 0.71 NTRK1 (0.78) NTRK1NTRK3
SCHEMBL17110742 0.70 NTRK1 (1.00) NTRK1
SCHEMBL17110700 0.70 NTRK1 (0.73) NTRK1
SCHEMBL17110701 0.70 NTRK1 (1.00) NTRK1NTRK3NTRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 NTRK1 3/4885ADORA2A 3962/4885ADORA1 4320/4885

“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.