SCHEMBL18004156

SCHEMBL18004156

N#Cc1[nH]nnc1-c1ccc(F)c(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ POLB P06746 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 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL18003910 0.87 POLB (0.42) MPOMEN1TNFPOLBKMT2A
SCHEMBL31622889 0.86 GPR52 (0.38) MPOMEN1TNFPOLBKMT2A
SCHEMBL16399966 0.86 GPR52 (0.38) MPOMEN1TNFPOLBKMT2A
SCHEMBL18004356 0.85 PTPN5 (0.36) MPOMEN1TNFPOLBKMT2A
SCHEMBL18004373 0.83 CTSS (0.36) MPOMEN1TNFPOLBKMT2A
SCHEMBL1250227 0.81 CTSS (0.49) CTSS
SCHEMBL18004071 0.81 CTSS (0.41) TRPA1CTSS
SCHEMBL18004375 0.81 MEN1 (0.37) MEN1TNFPOLBKMT2ANOD2
SCHEMBL18004241 0.81 HTT (0.38) MEN1TNFPOLBKMT2ANOD2
SCHEMBL18003991 0.79 TRPA1 (0.37) LTA4HTRPA1DAOCYP2D6CYP2C9

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 MPO 1789/4885MEN1 3151/4885TNF 1440/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MPO 1789/4885MEN1 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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