SCHEMBL22013639

SCHEMBL22013639

CC(C)(C)OC(=O)N1CCC(n2cc(-c3c(Cl)cnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.42
MET P08581 4/20 0.42
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
RET P07949 1/20 0.38
LIPC P11150 1/20 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
SCHEMBL22013411 0.94 NTRK1 (0.43) NTRK1METFGFR1FGFR2FGFR4
SCHEMBL22013109 0.89 NTRK1 (0.43) NTRK1METFGFR1FGFR2FGFR4
SCHEMBL22014129 0.89 NTRK1 (0.43) NTRK1METFGFR1FGFR2FGFR4
SCHEMBL22013172 0.88 NTRK1 (0.40) NTRK1MET
SCHEMBL22014125 0.87 NTRK1 (0.43) NTRK1
SCHEMBL29692817 0.85 ALK (0.42) NTRK1METFGFR1FGFR3KDR
SCHEMBL22013271 0.85 ALK (0.42) NTRK1METFGFR1FGFR3KDR
SCHEMBL22013113 0.85 NTRK1 (0.52) NTRK1
SCHEMBL22013068 0.85 NTRK1 (0.39) NTRK1MET
SCHEMBL22013361 0.84 NTRK1 (0.38) NTRK1METFGFR1FGFR2FGFR3

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 6 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
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
CN-113166141-A Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2021-07-23 CN 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 40/4885MET 116/4885FGFR1 174/4885

“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.