SCHEMBL2328428

SCHEMBL2328428

CC(=O)c1csc(Cn2ncc(N)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
GSK3B P49841 1/20 0.36
DAO P14920 1/20 0.36
FYN P06241 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2328426 0.84 CA2 (0.35) CA2GSK3BDAOFYNHRH3
SCHEMBL2329291 0.76 MAPT (0.50) GSK3BDAOKDM4EMEN1ALDH1A1
SCHEMBL2825554 0.76 CA2 (0.40) CA2GSK3BDAOMEN1ALDH1A1
SCHEMBL2330502 0.74 CYP3A4 (0.40) GSK3BFYNTSHRKDM4EMEN1
SCHEMBL1704174 0.73 MAPT (0.40) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL2326985 0.73 ADAMTS7 (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2327558 0.73 FYN (0.43) FYNTSHRKDM4EALDH1A1MAPT
SCHEMBL2333791 0.72 KDM4C (0.38) GSK3BFYNTSHRKDM4E
SCHEMBL2327774 0.71 KLKB1 (0.35) MAPT
SCHEMBL1704117 0.71 KDM4E (0.42) TSHRKDM4EALDH1A1MAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 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 (1 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R CA2 3054/4885GSK3B 3562/4885DAO 87/4885

“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.