Sugi Predict

Sugi Predict / Compounds / SCHEMBL22013368

SCHEMBL22013368

SCHEMBL22013368

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.41
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ TYK2 P29597 4/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ MAP4K3 Q8IVH8 4/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ ALK Q9UM73 10/20 0.39
▸ MET P08581 4/20 0.38
▸ GRK5 P34947 2/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ NUDT1 P36639 1/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ RIOK3 O14730 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CASK O14936 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ MUSK O15146 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
SCHEMBL29692806 1.00 NTRK1 (0.41) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL29692817 0.93 ALK (0.42) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22013271 0.93 ALK (0.42) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22013366 0.92 NTRK1 (0.40) NTRK1METNTRK3
SCHEMBL22013263 0.91 NTRK1 (0.43) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL29692838 0.91 NTRK1 (0.43) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22013630 0.90 NTRK1 (0.46) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL24200627 0.89 MET (0.42) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22013094 0.89 MET (0.42) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22013083 0.89 MET (0.42) NTRK1JAK2JAK1TYK2JAK3

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
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 40/4885JAK2 344/4885JAK1 428/4885

“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.