SCHEMBL21174253

SCHEMBL21174253

Cn1cc(-c2cc(F)cc(CN)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.52
KCNH2 Q12809 4/20 0.52
AOC3 Q16853 4/20 0.52
MAOA P21397 1/20 0.52
MET P08581 1/20 0.46
NTRK1 P04629 1/20 0.44
LOXL3 P58215 4/20 0.43
LOX P28300 2/20 0.43
ERN1 O75460 1/20 0.43
ALK Q9UM73 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
AURKA O14965 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39

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
Hydrochloric Acid SCHEMBL21174133 0.98 LOXL2 (0.53) LOXL2KCNH2AOC3MAOAMET
SCHEMBL27377641 0.88 LOXL2 (0.43) LOXL2KCNH2AOC3MAOAMET
SCHEMBL17794666 0.86 KCNH2 (0.46) LOXL2KCNH2AOC3MAOAMET
SCHEMBL18259536 0.83 ERN1 (0.51) LOXL2KCNH2AOC3MAOAMET
SCHEMBL1560003 0.82 MET (0.45) LOXL2KCNH2AOC3MAOAMET
SCHEMBL4433133 0.80 MET (0.48) LOXL2KCNH2AOC3MAOAMET
SCHEMBL21174101 0.80 PIK3CD (0.41) LOXL2KCNH2AOC3MAOAMET
Trifluoroacetic Acid SCHEMBL31457063 0.79 LOXL2 (0.44) LOXL2KCNH2AOC3MAOAMET
SCHEMBL31456950 0.79 KCNH2 (0.35) LOXL2KCNH2AOC3MAOAMET
SCHEMBL27374336 0.79 KCNH2 (0.35) LOXL2KCNH2AOC3MAOAMET

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 EP 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 (2 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-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 LOXL2 4212/4885KCNH2 3710/4885AOC3 2963/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 LOXL2 4212/4885KCNH2 3710/4885AOC3 2963/4885

“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.