SCHEMBL18004147

SCHEMBL18004147

COc1ccc(-c2ccc(C(F)(F)F)cc2-c2nn[nH]c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ PGR P06401 1/20 0.40
▸ AR P10275 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ GPR55 Q9Y2T6 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAOB P27338 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 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
SCHEMBL18004370 0.90 KIF11 (0.40) PTGDR2MAPTCNR1MAOBSMN1; SMN2
SCHEMBL18004259 0.89 TRPA1 (0.40) PTGDR2MAOBKDM1A
SCHEMBL18004152 0.87 BTK (0.42) PTGDR2ARMAPTKDM4EMAOB
SCHEMBL18004367 0.85 CNR1 (0.42) PTGDR2CNR1KDM4EGLARAB9A
SCHEMBL18004153 0.85 SMN1; SMN2 (0.41) PTGDR2MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL18004266 0.83 CTSS (0.36) PTGDR2
SCHEMBL18004263 0.80 USP7 (0.44) MAPTKDM4ERAB9ANPC1HPGD
SCHEMBL18004997 0.79 NPBWR1 (0.39) PTGDR2
SCHEMBL18004995 0.79 TOP1 (0.36) L3MBTL1KDM1A
SCHEMBL18005724 0.79 MAOB (0.40) MAPTKDM4EMAOBRAB9ANPC1

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 PTGDR2 4574/4885PGR 4495/4885AR 3449/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTGDR2 4574/4885PGR 4495/4885AR 3449/4885

“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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