SCHEMBL6093909

SCHEMBL6093909

CCCn1c(=O)nc(SC)c2[nH]c(CCC(=O)O)nc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL6094804 0.82 ADORA1 (0.39) ADORA1ADORA2AADORA2B
SCHEMBL6093533 0.79 ADORA1 (0.39) ADORA1ADORA2AADORA2B
SCHEMBL5229248 0.78 ADORA1 (0.59) ADORA1CYP1A2ADORA3ADORA2AADORA2B
SCHEMBL6093117 0.74 PDE2A (0.44) ADORA1ADORA2AADORA2B
SCHEMBL6095274 0.71 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6093414 0.71 ADORA1 (0.61) ADORA1CYP1A2ADORA3ADORA2AADORA2B
SCHEMBL5227169 0.71 ADORA1 (0.65) ADORA1CYP1A2ADORA3ADORA2AADORA2B
SCHEMBL8127160 0.71 ADORA2A (0.67) ADORA2AADORA2B
SCHEMBL5226847 0.70 ADORA2B (0.39) ADORA1ALDH1A1CYP1A2CYP2C19ADORA3
SCHEMBL5230505 0.69 ADORA2B (0.66) ADORA1ALDH1A1CYP1A2CYP2C19ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 ADORA1 64/4885ALDH1A1 2392/4885CYP1A2 909/4885

“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.