Sugi Predict

Sugi Predict / Compounds / SCHEMBL22013121

SCHEMBL22013121

SCHEMBL22013121

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nc(Cl)nc(-c4cnn(C5CCNCC5)c4)c3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.40
▸ CHRNA4 P43681 3/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ ALK Q9UM73 6/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ MET P08581 7/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.37
▸ MAP4K3 Q8IVH8 4/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ AURKA O14965 2/20 0.37
▸ DCLK1 O15075 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ INSR P06213 2/20 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
SCHEMBL22013126 0.92 NTRK1 (0.40) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL24200646 0.91 NTRK1 (0.40) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL22013066 0.89 EGFR (0.41) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL29692896 0.89 EGFR (0.41) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL22013271 0.86 ALK (0.42) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL29692817 0.86 ALK (0.42) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL22013368 0.85 NTRK1 (0.41) NTRK1CHRNA4ALKJAK2JAK3
SCHEMBL29692806 0.85 NTRK1 (0.41) NTRK1CHRNA4ALKJAK2JAK3
SCHEMBL22013064 0.84 NTRK1 (0.43) NTRK1CHRNA4CHRNB2ALKJAK2
SCHEMBL22013073 0.84 NTRK1 (0.43) NTRK1CHRNA4CHRNB2ALKJAK2

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 3 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
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 40/4885CHRNA4 3120/4885CHRNB2 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.