SCHEMBL22013133

SCHEMBL22013133

NC(=O)CN1CCC(n2cc(-c3c(F)cnc4ccc(N5C[C@@H](F)C[C@@H]5c5cc(F)ccc5F)nc34)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.43
MET P08581 3/20 0.41
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
JAK2 O60674 6/20 0.38
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SCD O00767 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
SCHEMBL29692806 0.86 NTRK1 (0.41) NTRK1METPIK3CAJAK2
SCHEMBL22013368 0.86 NTRK1 (0.41) NTRK1METPIK3CAJAK2
SCHEMBL22013411 0.86 NTRK1 (0.43) NTRK1MET
SCHEMBL22013630 0.85 NTRK1 (0.46) NTRK1METJAK2
SCHEMBL29692837 0.85 MET (0.40) NTRK1METPIK3CAMTORJAK2
SCHEMBL22013657 0.85 MET (0.40) NTRK1METPIK3CAMTORJAK2
SCHEMBL22013366 0.85 NTRK1 (0.40) NTRK1MET
SCHEMBL23836986 0.84 MTOR (0.42) METPIK3CAMTORSCD
SCHEMBL22013361 0.84 NTRK1 (0.38) NTRK1METJAK2
SCHEMBL22013394 0.83 NTRK1 (0.37) NTRK1METJAK2

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 40/4885MET 116/4885PIK3CA 131/4885

“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.