SCHEMBL22763386

SCHEMBL22763386

C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.60
JAK2 O60674 18/20 0.60

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
SCHEMBL22763384 0.92 NTRK1 (0.62) NTRK1JAK2
SCHEMBL22763407 0.87 NTRK1 (0.45) NTRK1JAK2
SCHEMBL22762834 0.85 NTRK1 (0.59) NTRK1JAK2
SCHEMBL22763284 0.85 NTRK1 (0.59) NTRK1JAK2
SCHEMBL20597090 0.82 NTRK1 (0.64) NTRK1JAK2
SCHEMBL21588832 0.82 NTRK1 (0.60) NTRK1JAK2
SCHEMBL17830906 0.82 NTRK1 (0.78) NTRK1JAK2
SCHEMBL22763278 0.81 NTRK1 (0.53) NTRK1JAK2
SCHEMBL22763283 0.81 NTRK1 (0.67) NTRK1JAK2
SCHEMBL21588826 0.81 NTRK1 (0.67) NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF ANGEX PHARMACEUTICAL, INC. 2020-12-10 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-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF MAP3K20, PNCK, CDC42BPG NTRK1 49/4885JAK2 201/4885

“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.