SCHEMBL18005017

SCHEMBL18005017

N#Cc1[nH]nnc1-c1csc(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ EIF4E P06730 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SREBF2 Q12772 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MET P08581 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18005004 0.92 MET (0.37) CYP1A1CYP1B1CDC25ACDC25BCDC25C
SCHEMBL18005009 0.89 NOTUM (0.37) CDC25ACDC25BCDC25CKDM4EEIF4E
SCHEMBL18005018 0.88 CYP19A1 (0.46) CYP1A1CYP1B1LMNACYP19A1MAPT
SCHEMBL16399142 0.87 KDM4E (0.49) CDC25ACDC25BCDC25CKDM4ELMNA
SCHEMBL18005007 0.85 CYP1A1 (0.35) CYP1A1CYP1B1CDC25ACDC25BCDC25C
SCHEMBL16399594 0.84 EIF4E (0.48) KDM4ERAB9AEIF4EMEN1KMT2A
SCHEMBL16399551 0.83 EIF4E (0.39) EIF4E
SCHEMBL18005019 0.82 RAB9A (0.49) CDC25ACDC25BCDC25CKDM4ELMNA
SCHEMBL18005982 0.82 KMT2A (0.47) CDC25ACDC25BCDC25CKDM4ELMNA
SCHEMBL18005020 0.81 KDM4E (0.42) KDM4ELMNARAB9ASMN1; SMN2MAPT

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 CYP1A1 2166/4885CYP1B1 1887/4885CDC25A 393/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP1A1 2166/4885CYP1B1 1887/4885CDC25A 393/4885

“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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