SCHEMBL23501317

SCHEMBL23501317

COc1ncc(F)cc1[C@@H](C)Nc1ccn2nc(F)c(C(=O)O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.42
▸ NTRK3 Q16288 10/20 0.42
▸ NTRK2 Q16620 8/20 0.42
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL23501318 1.00 NTRK1 (0.42) NTRK1NTRK3NTRK2JAK2
SCHEMBL23516539 0.91 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2
SCHEMBL23084134 0.79 NTRK1 (0.55) NTRK1NTRK3NTRK2JAK2
SCHEMBL23500998 0.78 NTRK1 (0.35) NTRK1NTRK3NTRK2JAK2
SCHEMBL29989796 0.78 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2
SCHEMBL23501036 0.77 PIK3CG (0.41) NTRK1NTRK3NTRK2
SCHEMBL29424948 0.77 PIK3CG (0.38) —
SCHEMBL18361533 0.77 NTRK1 (0.46) NTRK1NTRK3NTRK2JAK2
SCHEMBL27060300 0.76 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL23516649 0.74 NTRK1 (0.45) NTRK1NTRK3NTRK2JAK2

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 3 patents. 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
EP-4074715-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2022-10-19 — — EP disclosed
WO-2021115401-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF 成都倍特药业股份有限公司 2021-06-17 — — 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-20230044722-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF FRK, BRAF, ERBB3 NTRK1 4/4885NTRK3 10/4885NTRK2 5/4885

“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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