SCHEMBL18005015

SCHEMBL18005015

COc1ccc(-c2nc(-c3nn[nH]c3C#N)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CDC25A P30304 1/20 0.48
▸ CDC25B P30305 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A1 P04798 3/20 0.46
▸ CYP1B1 Q16678 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ ATP4A P20648 2/20 0.45
▸ ATP4B P51164 2/20 0.45
▸ SREBF2 Q12772 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL18005019 0.86 RAB9A (0.49) KDM4EMAPTPOLBATMCDC25A
SCHEMBL18005016 0.86 SREBF2 (0.50) KDM4EMAPTATMALDH1A1RAB9A
SCHEMBL18005977 0.85 ALDH1A1 (0.50) KDM4EMAPTPOLBALDH1A1RAB9A
SCHEMBL16399168 0.85 ADORA1 (0.45) KDM4EMAPTPOLBATMCDC25A
SCHEMBL18005024 0.85 CDC25A (0.55) KDM4EMAPTCDC25ACDC25BRAB9A
SCHEMBL18005014 0.84 KDM4E (0.49) KDM4EMAPTPOLBCDC25ACDC25B
SCHEMBL16399142 0.84 KDM4E (0.49) KDM4EMAPTATMCDC25ACDC25B
SCHEMBL18005984 0.84 RAB9A (0.46) KDM4EMAPTPOLBCDC25ACDC25B
SCHEMBL18005982 0.84 KMT2A (0.47) KDM4EMAPTPOLBCDC25ACDC25B
SCHEMBL18004999 0.81 KDM4E (0.43) KDM4EMAPTPOLBCDC25ACDC25B

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 KDM4E 2681/4885MAPT 2196/4885POLB 539/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885MAPT 2196/4885POLB 539/4885

“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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