SCHEMBL18004255

SCHEMBL18004255

Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(-c2nn[nH]c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ DAO P14920 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 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
SCHEMBL18004159 0.90 NOTUM (0.38) DAOCTSSCTSK
SCHEMBL18003910 0.89 POLB (0.42) POLBMEN1TNFKMT2ANOD2
SCHEMBL18003986 0.88 IDH1 (0.36) LTA4HDAOCYP2D6CYP2C9CYP2C19
SCHEMBL18004241 0.87 HTT (0.38) POLBMEN1TNFKMT2ANOD2
SCHEMBL18004393 0.87 HTR2B (0.39) POLBMEN1TNFKMT2ANOD2
SCHEMBL18004375 0.85 MEN1 (0.37) POLBMEN1TNFKMT2ANOD2
SCHEMBL18004162 0.85 USP7 (0.36) POLBMEN1TNFKMT2ANOD2
SCHEMBL18003951 0.84 CTSS (0.41) KDM4ECTSSCTSKHTT
SCHEMBL18004223 0.84 MAOB (0.43) POLBKDM4EHTTL3MBTL1
SCHEMBL18004163 0.83 QPCT (0.32) HTR2A

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 POLB 539/4885MEN1 3151/4885TNF 1440/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 POLB 539/4885MEN1 3151/4885TNF 1440/4885

“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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