SCHEMBL2326985

SCHEMBL2326985

CC(=O)c1nc(Cn2ncc(N)n2)cs1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.34
KLKB1 P03952 6/20 0.33
HSD17B10 Q99714 2/20 0.32
KLK1 P06870 2/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
AKR1B1 P15121 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
SCHEMBL2326982 0.84 ADAMTS7 (0.39) ADAMTS7MEN1KMT2AALDH1A1FPR3
SCHEMBL2823806 0.76 ALDH1A1 (0.39) KLKB1HSD17B10KLK1GABRA5GABRB2
SCHEMBL1704174 0.76 MAPT (0.40) MEN1KMT2AALDH1A1FPR3FPR2
SCHEMBL2328189 0.75 TSHR (0.36) ALDH1A1FPR3FPR2
SCHEMBL2329291 0.73 MAPT (0.50) KLKB1KLK1MEN1KMT2AALDH1A1
SCHEMBL9900051 0.73 SCN9A (0.38)
SCHEMBL2331781 0.72 SMN1; SMN2 (0.34) ADAMTS7
SCHEMBL855209 0.71 KMT2A (0.38) HSD17B10GABRA5GABRB2MEN1KMT2A
SCHEMBL2333791 0.69 KDM4C (0.38) KLKB1GABRA5GABRB2KDM4E
SCHEMBL1614004 0.69 ALDH1A1 (0.39) HSD17B10GABRA5GABRB2MEN1KMT2A

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 7 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
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 ADAMTS7 2912/4885KLKB1 4485/4885HSD17B10 2236/4885

“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.