SCHEMBL18005161

SCHEMBL18005161

Cc1sc(-c2ccnc(Cl)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.36
▸ CYP19A1 P11511 1/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ CDC7 O00311 2/20 0.30
▸ DBF4 Q9UBU7 2/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL18005123 0.87 MAPK14 (0.37) MAPK14CYP19A1CDK5CDK5R1ADORA2A
SCHEMBL18005030 0.84 KDM4E (0.37) MAPK14ADORA1APEX1
SCHEMBL18005136 0.83 APEX1 (0.33) APEX1
SCHEMBL16399408 0.82 APEX1 (0.45) PTGDR2APEX1
SCHEMBL16398661 0.81 APEX1 (0.41) ADORA2AADORA1GRM5IDO1APEX1
SCHEMBL18005101 0.79 CYP11B1 (0.33) APEX1
SCHEMBL18005069 0.78 DCK (0.39) APEX1
SCHEMBL18005001 0.78 APEX1 (0.34) APEX1
SCHEMBL18005092 0.77 IDH1 (0.33) —
SCHEMBL26070833 0.77 CCNC (0.38) MAPK14ADORA2AADORA1MAPK13MAPK12

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 MAPK14 663/4885CYP19A1 653/4885CDK5 1268/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPK14 663/4885CYP19A1 653/4885CDK5 1268/4885

“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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