SCHEMBL18004356

SCHEMBL18004356

N#Cc1[nH]nnc1-c1cccc(Cc2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ CTSS P25774 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT8 Q9NR22 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL18004373 0.89 CTSS (0.36) PTPN5MEN1TNFPOLBKMT2A
SCHEMBL18003937 0.88 IDO1 (0.34) CTSSIDO1DAOMRGPRX4TRPA1
SCHEMBL18003910 0.87 POLB (0.42) MEN1TNFPOLBKMT2ANOD2
SCHEMBL18003991 0.86 TRPA1 (0.37) CTSSDAOTRPA1CYP2D6CYP2C9
SCHEMBL18004156 0.85 MPO (0.38) MEN1TNFPOLBKMT2ANOD2
SCHEMBL18004375 0.83 MEN1 (0.37) PTPN5MEN1TNFPOLBKMT2A
SCHEMBL18004308 0.82 IDO1 (0.39) IDO1
SCHEMBL16399966 0.82 GPR52 (0.38) MEN1TNFPOLBKMT2ANOD2
SCHEMBL31622889 0.82 GPR52 (0.38) MEN1TNFPOLBKMT2ANOD2
SCHEMBL1250227 0.81 CTSS (0.49) CTSSIDO1PRMT6PRMT8CTSK

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 PTPN5 2007/4885MEN1 3151/4885TNF 1440/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTPN5 2007/4885MEN1 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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