SCHEMBL22014129

SCHEMBL22014129

CC(C)(C)OC(=O)N1CCC(n2cc(-c3ncnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.43
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR4 P22455 2/20 0.41
FGFR3 P22607 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
MET P08581 3/20 0.39
TNK2 Q07912 1/20 0.39
RIPK2 O43353 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL22013411 0.90 NTRK1 (0.43) NTRK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL22013109 0.90 NTRK1 (0.43) NTRK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL22013639 0.89 NTRK1 (0.42) NTRK1FGFR1FGFR2FGFR4FGFR3
SCHEMBL29692896 0.85 EGFR (0.41) NTRK1MET
SCHEMBL22013066 0.85 EGFR (0.41) NTRK1MET
SCHEMBL22013095 0.82 NTRK1 (0.41) NTRK1MET
SCHEMBL23825254 0.81 NTRK1 (0.43) NTRK1MAP4K4
SCHEMBL22013113 0.81 NTRK1 (0.52) NTRK1
SCHEMBL22013391 0.80 NTRK1 (0.41) NTRK1
SCHEMBL23825255 0.80 NTRK1 (0.40) NTRK1MET

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 40/4885FGFR1 174/4885FGFR2 368/4885

“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.