SCHEMBL22013271

SCHEMBL22013271

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(Cl)c(-c4cnn(C5CCNCC5)c4)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
MET P08581 10/20 0.41
AXL P30530 3/20 0.41
MST1R Q04912 3/20 0.41
MAP4K3 Q8IVH8 5/20 0.41
NTRK1 P04629 4/20 0.41
CHRNA4 P43681 3/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
DCLK1 O15075 2/20 0.41
PRKD3 O94806 2/20 0.41
ABL1 P00519 2/20 0.41
INSR P06213 2/20 0.41
LCK P06239 2/20 0.41
FES P07332 2/20 0.41
CSF1R P07333 2/20 0.41

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
SCHEMBL29692817 1.00 ALK (0.42) ALKJAK2JAK3JAK1TYK2
SCHEMBL22013094 0.96 MET (0.42) ALKJAK2JAK3JAK1TYK2
SCHEMBL22013083 0.96 MET (0.42) ALKJAK2JAK3JAK1TYK2
SCHEMBL24200627 0.96 MET (0.42) ALKJAK2JAK3JAK1TYK2
SCHEMBL22013368 0.93 NTRK1 (0.41) ALKJAK2JAK3JAK1TYK2
SCHEMBL29692806 0.93 NTRK1 (0.41) ALKJAK2JAK3JAK1TYK2
SCHEMBL22013167 0.93 MET (0.39) ALKJAK2JAK3JAK1TYK2
SCHEMBL29692841 0.93 MET (0.39) ALKJAK2JAK3JAK1TYK2
SCHEMBL22013093 0.92 MET (0.43) ALKJAK2JAK3JAK1TYK2
SCHEMBL24200629 0.92 MET (0.43) ALKJAK2JAK3JAK1TYK2

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 ALK 279/4885JAK2 344/4885JAK3 561/4885

“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.