SCHEMBL22013273

SCHEMBL22013273

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncnc(-c4noc(C5CCNCC5)n4)c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.35
NR1H4 Q96RI1 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL22013125 0.89 NTRK1 (0.38) NTRK1NR1H4CNR1CNR2KCNH2
SCHEMBL22013149 0.87 CNR2 (0.40) NTRK1CNR1CNR2KCNH2
SCHEMBL29692793 0.87 CNR2 (0.40) NTRK1CNR1CNR2KCNH2
SCHEMBL22013258 0.86 NTRK1 (0.39) NTRK1
SCHEMBL22013276 0.81 NTRK1 (0.36) NTRK1MAP4K4
SCHEMBL22013124 0.81 NTRK1 (0.37) NTRK1MAP4K4
SCHEMBL22013066 0.80 EGFR (0.41) NTRK1
SCHEMBL22013274 0.80 NTRK1 (0.37) NTRK1
SCHEMBL29692896 0.80 EGFR (0.41) NTRK1
SCHEMBL22013135 0.79 NTRK1 (0.37) NTRK1

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-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
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 40/4885NR1H4 704/4885GABRA1 1394/4885

“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.