SCHEMBL5742397

SCHEMBL5742397

CCCn1c(=O)[nH]c(=S)c2cc(-c3ccccc3)[nH]c21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.55
ADORA3 P0DMS8 5/20 0.55
ADORA1 P30542 4/20 0.55
ADORA2A P29274 5/20 0.49
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAS2R38 P59533 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL5739936 0.87 ADORA2B (0.57) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL5740591 0.73 ALDH1A1 (0.46) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL5741227 0.71 ADORA2B (0.68) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL10429700 0.69 ALDH1A1 (0.56) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL5785083 0.68 KDM4E (0.41) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL23401315 0.64 MEN1 (0.82) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL8541305 0.64 ADORA2B (0.56) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL29446410 0.62 KCNH2 (0.69) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL17446140 0.62 ALDH1A1 (0.54) ADORA2BADORA3ADORA1ADORA2AALDH1A1
SCHEMBL9420336 0.62 ADORA2A (0.55) ADORA2BADORA3ADORA1ADORA2AHPGD

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-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP 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-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ADORA2B 1074/4885ADORA3 275/4885ADORA1 1052/4885

“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.