SCHEMBL18004247

SCHEMBL18004247

N#Cc1[nH]nnc1-c1cc(Cl)cc(Cc2cc(F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 8/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ TOP2A P11388 2/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL18003935 0.87 CNR1 (0.35) NOTUMADORA1
SCHEMBL18004345 0.86 NOTUM (0.38) NOTUMADORA2AADORA1
SCHEMBL18004241 0.86 HTT (0.38) —
SCHEMBL18004377 0.85 CTSS (0.38) NOTUM
SCHEMBL18004196 0.85 TDP1 (0.35) GPR52NOTUMTOP2AADORA2AADORA1
SCHEMBL18004161 0.84 CNR1 (0.35) NOTUMTOP2A
SCHEMBL18004258 0.84 TRPA1 (0.32) GPR52
SCHEMBL18004155 0.83 NPC1 (0.37) ADORA1
SCHEMBL18003491 0.82 CTSS (0.36) NOTUM
SCHEMBL16398554 0.82 MRGPRX4 (0.33) —

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 GPR52 3456/4885NOTUM 1379/4885TOP2A 3083/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 GPR52 3456/4885NOTUM 1379/4885TOP2A 3083/4885

“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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