SCHEMBL6093533

SCHEMBL6093533

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 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
SCHEMBL6092557 0.86 ADORA2A (0.45) ADORA1ADORA2AADORA2B
SCHEMBL6092448 0.85 POLB (0.48) ADORA1ADORA2AADORA2BSIRT1SIRT3
SCHEMBL6094804 0.82 ADORA1 (0.39) ADORA1ADORA2AADORA2BSIRT1SIRT3
SCHEMBL5231383 0.81 HTT (0.42) ADORA1ADORA2AADORA2BSIRT1SIRT3
SCHEMBL6093879 0.81 ADORA1 (0.39) ADORA1ADORA2AADORA2BSIRT1SIRT3
SCHEMBL5229248 0.80 ADORA1 (0.59) ADORA1ADORA2AADORA2B
SCHEMBL6093909 0.79 ADORA1 (0.43) ADORA1ADORA2AADORA2B
SCHEMBL6093117 0.76 PDE2A (0.44) ADORA1ADORA2AADORA2BSIRT1SIRT3
SCHEMBL6093638 0.71 ADORA1 (0.65) ADORA1ADORA2AADORA2B
SCHEMBL5230505 0.71 ADORA2B (0.66) ADORA1ADORA2AADORA2B

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 64/4885ADORA2A 47/4885ADORA2B 206/4885

“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.