SCHEMBL18005018

SCHEMBL18005018

N#Cc1[nH]nnc1-c1csc(-c2cccc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ADORA1 P30542 5/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ EIF4E P06730 2/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ATP4A P20648 1/20 0.37

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
SCHEMBL18005017 0.88 CYP1A1 (0.35) CYP19A1LMNAADORA1ADORA2AMAPT
SCHEMBL18005023 0.87 EIF4E (0.45) ADORA1ADORA2AHSD17B1HSD17B2EIF4E
SCHEMBL16399142 0.85 KDM4E (0.49) CYP19A1LMNAADORA1MAPTTP53
SCHEMBL18005982 0.85 KMT2A (0.47) CYP19A1L3MBTL1LMNAMAPT
SCHEMBL16399594 0.85 EIF4E (0.48) EIF4E
SCHEMBL16399551 0.84 EIF4E (0.39) EIF4E
SCHEMBL18005016 0.83 SREBF2 (0.50) CYP19A1LMNAADORA1ADORA2AADORA2B
SCHEMBL16399311 0.83 ALDH1A1 (0.48) EIF4ECTSSCTSKTLR7PIM1
SCHEMBL18005984 0.83 RAB9A (0.46) CYP19A1L3MBTL1LMNAMAPTATP4A
SCHEMBL18005004 0.83 MET (0.37) CYP19A1LMNAMAPTEIF4ECYP1A1

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 CYP19A1 653/4885L3MBTL1 1503/4885LMNA 4192/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP19A1 653/4885L3MBTL1 1503/4885LMNA 4192/4885

“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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