SCHEMBL22013427

SCHEMBL22013427

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncnc(Cl)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.41
SCN9A Q15858 2/20 0.35
RIPK1 Q13546 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
SCHEMBL29692825 1.00 NTRK1 (0.41) NTRK1SCN9ARIPK1
SCHEMBL22013664 0.88 NTRK1 (0.43) NTRK1SCN9ARIPK1
SCHEMBL29692941 0.88 NTRK1 (0.43) NTRK1SCN9ARIPK1
SCHEMBL22013058 0.86 NTRK1 (0.41) NTRK1SCN9A
SCHEMBL29692814 0.86 NTRK1 (0.41) NTRK1SCN9A
SCHEMBL22013147 0.83 NTRK1 (0.41) NTRK1SCN9A
SCHEMBL29692840 0.83 NTRK1 (0.41) NTRK1SCN9A
SCHEMBL23825240 0.83 NTRK1 (0.40) NTRK1SCN9A
SCHEMBL22013119 0.82 NTRK1 (0.43) NTRK1SCN9A
SCHEMBL22013400 0.82 NTRK1 (0.43) NTRK1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 NTRK1 40/4885SCN9A 3472/4885RIPK1 115/4885

“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.