SCHEMBL18005013

SCHEMBL18005013

N#Cc1[nH]nnc1-c1csc(-c2ccc(F)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CDC25A P30304 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ EIF4E P06730 4/20 0.37
▸ SREBF2 Q12772 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ AR P10275 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL18005026 0.90 EIF4E (0.39) EIF4E
SCHEMBL16399551 0.90 EIF4E (0.39) EIF4E
SCHEMBL18005065 0.90 CDC25A (0.36) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL18005006 0.88 MPL (0.46) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL18005014 0.86 KDM4E (0.49) RAB9AKDM4EALDH1A1CDC25ACDC25B
SCHEMBL18005007 0.84 CYP1A1 (0.35) KDM4EALDH1A1CDC25ACDC25BCDC25C
SCHEMBL16399142 0.84 KDM4E (0.49) RAB9ANPC1KDM4EALDH1A1CDC25A
SCHEMBL16399594 0.83 EIF4E (0.48) RAB9ANPC1KDM4EEIF4EMEN1
SCHEMBL18005024 0.83 CDC25A (0.55) RAB9ANPC1KDM4ECDC25ACDC25B
SCHEMBL18005018 0.82 CYP19A1 (0.46) EIF4EL3MBTL1

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 RAB9A 4775/4885NPC1 1062/4885KDM4E 2681/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RAB9A 4775/4885NPC1 1062/4885KDM4E 2681/4885

“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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