SCHEMBL6092448

SCHEMBL6092448

CCCc1nc2c([nH]1)c(SC)nc(=O)n2CCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
ADORA1 P30542 6/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41

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 0.89 ADORA1 (0.39) POLBSIRT1SIRT3SIRT5ADORA1
SCHEMBL6093909 0.88 ADORA1 (0.43) ADORA1ADORA2AADORA2B
SCHEMBL6093879 0.86 ADORA1 (0.39) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL5231383 0.86 HTT (0.42) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL6093533 0.85 ADORA1 (0.39) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL5229248 0.84 ADORA1 (0.59) ADORA1ADORA2AADORA2B
SCHEMBL6093117 0.80 PDE2A (0.44) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL6092557 0.78 ADORA2A (0.45) ADORA1ADORA2AADORA2B
SCHEMBL5227169 0.76 ADORA1 (0.65) ADORA1ADORA2AADORA2B
SCHEMBL8127160 0.76 ADORA2A (0.67) ADORA2AADORA2B

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 6 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
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 EP disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 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 POLB 720/4885SIRT1 1841/4885SIRT3 2395/4885

“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.