SCHEMBL18005136

SCHEMBL18005136

Cc1sc(-c2ccc(Cl)nc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.33
▸ AR P10275 1/20 0.32
▸ HRH3 Q9Y5N1 5/20 0.32
▸ POLB P06746 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ ATP4A P20648 1/20 0.30
▸ ATP4B P51164 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
SCHEMBL18005088 0.87 ATP4A (0.33) HRH3POLBATP4AATP4B
SCHEMBL16399408 0.86 APEX1 (0.45) APEX1HRH3POLBNPC1RAB9A
SCHEMBL18005081 0.84 TRPV3 (0.34) —
SCHEMBL18005161 0.83 MAPK14 (0.36) APEX1
SCHEMBL18005030 0.83 KDM4E (0.37) APEX1
SCHEMBL16398661 0.80 APEX1 (0.41) APEX1
SCHEMBL16399047 0.80 GRM5 (0.33) APEX1
SCHEMBL18005101 0.80 CYP11B1 (0.33) APEX1
SCHEMBL18005059 0.79 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL16399216 0.78 NPC1 (0.42) APEX1NPC1RAB9AMEN1KMT2A

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 APEX1 2397/4885AR 3449/4885HRH3 4374/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 APEX1 2397/4885AR 3449/4885HRH3 4374/4885

“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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