SCHEMBL10168097

SCHEMBL10168097

CC(C)c1nc(-c2ccsc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
KDM5B Q9UGL1 1/20 0.39
NPC1 O15118 2/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
GSK3B P49841 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2A6 P11509 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NPY5R Q15761 1/20 0.34
AR P10275 1/20 0.33
CYP2E1 P05181 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
SCHEMBL32662992 0.83 PDGFRB (0.43) PDGFRBKDM5BNPC1ADORA2AADORA3
SCHEMBL17973036 0.78 GSK3B (0.41) PDGFRBGSK3BADORA2AADORA3ADORA1
SCHEMBL17995165 0.77 GSK3B (0.57) KDM5BNPC1GSK3BAR
SCHEMBL6965532 0.77 PDGFRB (0.48) PDGFRBNPC1DRD2HTR6ADORA2A
SCHEMBL14333952 0.75 PDGFRB (0.46) PDGFRBNPC1ADORA2AADORA3ADORA1
SCHEMBL1696579 0.75 ADORA1 (0.47) PDGFRBGSK3BADORA2AADORA3ADORA1
SCHEMBL12566437 0.74 RAB9A (0.40) NPC1GSK3BADORA2AADORA3ADORA1
SCHEMBL12960716 0.74 METAP2 (0.39) NPC1GSK3BADORA3
SCHEMBL8012796 0.72 KEAP1 (0.38) KDM5BNPC1GSK3BADORA2AADORA3
SCHEMBL19398564 0.72 MAPK1 (0.38) KDM5BNPC1GSK3B

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 PDGFRB 516/4885KDM5B 461/4885NPC1 496/4885

“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.