SCHEMBL24992250

SCHEMBL24992250

C[C@H](CCc1ncc(F)cc1[C@H]1CCCN1C(=O)C(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.41
▸ NTRK1 P04629 15/20 0.38
▸ JAK2 O60674 11/20 0.38
▸ CMA1 P23946 1/20 0.35
▸ ACE P12821 1/20 0.34

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
SCHEMBL24993327 1.00 RIPK1 (0.41) RIPK1NTRK1JAK2CMA1ACE
SCHEMBL24993333 0.80 RIPK1 (0.39) RIPK1NTRK1JAK2CMA1
SCHEMBL24992801 0.80 RIPK1 (0.39) RIPK1NTRK1JAK2CMA1
SCHEMBL23500994 0.78 RIPK1 (0.43) RIPK1NTRK1JAK2
SCHEMBL23501106 0.77 RIPK1 (0.43) RIPK1NTRK1JAK2
SCHEMBL23070679 0.77 NTRK1 (0.48) NTRK1JAK2
SCHEMBL22762879 0.76 NTRK1 (0.50) NTRK1
SCHEMBL21494324 0.73 RIPK1 (0.44) RIPK1NTRK1JAK2
SCHEMBL23501031 0.73 NTRK1 (0.49) RIPK1NTRK1JAK2
SCHEMBL23501030 0.73 NTRK1 (0.49) RIPK1NTRK1JAK2

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-20230044722-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2023-02-09 — — 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-20230044722-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF FRK, BRAF, ERBB3 RIPK1 588/4885NTRK1 4/4885JAK2 106/4885

“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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