SCHEMBL18004362

SCHEMBL18004362

N#Cc1[nH]nnc1-c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(OC(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.36
▸ AHR P35869 1/20 0.34
▸ NQO2 P16083 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL18004461 0.89 NFE2L2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18004506 0.89 NQO2 (0.36) PTGS1NQO2ADORA2AADORA1
SCHEMBL18004498 0.88 CYP1A1 (0.38) PTGS1AHRNQO2
SCHEMBL18004405 0.88 PTGS1 (0.38) PTGS1AHRNQO2CHRNB2CHRNB4
SCHEMBL18004452 0.88 KCNH2 (0.32) AHRADORA2AADORA1
SCHEMBL18004364 0.85 AHR (0.40) PTGS1AHRNQO2
SCHEMBL18004355 0.82 AHR (0.52) PTGS1AHRNQO2
SCHEMBL18004479 0.82 MAOB (0.37) —
SCHEMBL18003881 0.82 CTSS (0.34) ADORA2AADORA1
SCHEMBL18004460 0.82 ADORA1 (0.35) AHRADORA2AADORA1

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 PTGS1 2094/4885AHR 3515/4885NQO2 1548/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTGS1 2094/4885AHR 3515/4885NQO2 1548/4885

“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.

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