SCHEMBL29977249

SCHEMBL29977249

COc1ncc(F)cc1[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.45
▸ JAK2 O60674 15/20 0.45
▸ JAK1 P23458 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ROCK2 O75116 3/20 0.37

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
SCHEMBL28371220 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL29305265 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL30036711 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL29977880 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL23070666 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL30480051 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL23070651 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL30480054 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL28621956 1.00 NTRK1 (0.45) NTRK1JAK2JAK1CYP1A2POLB
SCHEMBL23070665 0.89 NTRK1 (0.42) NTRK1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822276-B1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2026-01-28 — — EP disclosed
US-11878987-B2 Heterocyclic compound as TRK inhibitor BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2024-01-23 — — US disclosed
EP-3674307-B1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-06-07 — — EP disclosed
CN-111918868-B Diaryl macrocycles as protein kinase modulators 正大天晴药业集团股份有限公司 2022-12-30 — — CN disclosed
CN-110627812-B Heterocyclic compounds as TRK inhibitors 北京诺诚健华医药科技有限公司 2022-10-11 — — CN 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-11878987-B2 Heterocyclic compound as TRK inhibitor NADK, NTRK3, TNNI3K NTRK1 8/4885JAK2 983/4885JAK1 1957/4885

“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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