SCHEMBL18004367

SCHEMBL18004367

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ BIRC5 O15392 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL18004370 0.93 KIF11 (0.40) CNR1PTGDR2CTSSCTSKALDH1A1
SCHEMBL18004153 0.88 SMN1; SMN2 (0.41) PTGDR2CTSSCTSKKDM4EMEN1
SCHEMBL18004266 0.86 CTSS (0.36) PTGDR2CTSSCTSKDHODHKIF11
SCHEMBL18004259 0.85 TRPA1 (0.40) PTGDR2TRPA1DHODHFFAR4DGAT1
SCHEMBL18004147 0.85 PTGDR2 (0.44) CNR1PTGDR2KDM4EALDH1A1GLA
SCHEMBL17969048 0.85 DPP4 (0.41) CTSSCTSKHTTKDM4EMEN1
SCHEMBL18004152 0.83 BTK (0.42) PTGDR2HTTKDM4EALDH1A1GRM2
SCHEMBL18004995 0.81 TOP1 (0.36) L3MBTL1
SCHEMBL18004997 0.81 NPBWR1 (0.39) PTGDR2CTSSCTSKDGAT1SOAT1
SCHEMBL18003892 0.81 PTGDR2 (0.37) PTGDR2CTSSCTSKALDH1A1TRPA1

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 CNR1 2229/4885PTGDR2 4574/4885BIRC5 3776/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CNR1 2229/4885PTGDR2 4574/4885BIRC5 3776/4885

“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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