Sugi Predict

Sugi Predict / Compounds / SCHEMBL22013064

SCHEMBL22013064

SCHEMBL22013064

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nncc(-c4cnn(C5CCNCC5)c4)c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.43
▸ MAP4K3 Q8IVH8 4/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ GRK5 P34947 4/20 0.37
▸ MET P08581 4/20 0.37
▸ GRK2 P25098 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ NTRK3 Q16288 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL29692862 0.89 NTRK1 (0.43) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL22013073 0.89 NTRK1 (0.43) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL22013368 0.85 NTRK1 (0.41) NTRK1MAP4K3CHRNA4GRK5MET
SCHEMBL29692806 0.85 NTRK1 (0.41) NTRK1MAP4K3CHRNA4GRK5MET
SCHEMBL22013126 0.85 NTRK1 (0.40) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL29692896 0.85 EGFR (0.41) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL22013066 0.85 EGFR (0.41) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL24200646 0.84 NTRK1 (0.40) NTRK1MAP4K3CHRNB2CHRNA4GRK5
SCHEMBL22013121 0.84 NTRK1 (0.40) NTRK1MAP4K3CHRNB2CHRNA4MET
SCHEMBL22013271 0.84 ALK (0.42) NTRK1MAP4K3CHRNB2CHRNA4MET

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 40/4885MAP4K3 67/4885CHRNB2 2734/4885

“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.