SCHEMBL10168090

SCHEMBL10168090

CC(C)c1nc(-c2ccsc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
NPY5R Q15761 2/20 0.43
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPRB P23467 2/20 0.39
NPC1 O15118 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP2A6 P11509 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MRE11 P49959 1/20 0.36

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
SCHEMBL2754043 0.78 ALDH1A1 (0.55) ARALDH1A1NPC1SENP8SENP7
SCHEMBL14558317 0.78 RAB9A (0.50) ARNPC1DRD2
SCHEMBL2609421 0.76 RAB9A (0.53) ARALDH1A1NPC1
SCHEMBL22824711 0.76 MAPT (0.45) ALDH1A1NPC1PIK3CDPIK3CAPIK3CB
SCHEMBL10207991 0.76 GAA (0.51) ARCSNK2A1ALDH1A1NPC1
SCHEMBL2222772 0.75 ATP4A (0.49) ARALDH1A1NPC1
SCHEMBL10052165 0.75 KMT2A (0.58) ARALDH1A1NPC1
SCHEMBL2609415 0.75 RAB9A (0.56) ALDH1A1NPC1
SCHEMBL2513271 0.75 RAB9A (0.58) ARNPY5RALDH1A1NPC1
SCHEMBL534352 0.75 PIK3CD (0.38) ALDH1A1NPC1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI AR 527/4885NPY5R 1012/4885CSNK2A1 225/4885

“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.