SCHEMBL6093056

SCHEMBL6093056

CCCn1c(=O)nc(SC)c2[nH]c(C3CCC(=O)CC3)nc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.57
ADORA2A P29274 6/20 0.57
ADORA2B P29275 5/20 0.57
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TSHR P16473 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL5227169 0.91 ADORA1 (0.65) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6093414 0.91 ADORA1 (0.61) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6093638 0.90 ADORA1 (0.65) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6095139 0.85 ADORA1 (0.51) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL5229000 0.81 ADORA1 (0.62) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6093921 0.77 ADORA2A (0.50) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL5229248 0.77 ADORA1 (0.59) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL8127160 0.77 ADORA2A (0.67) ADORA2AADORA2B
SCHEMBL6094137 0.75 ADORA1 (0.41) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6092448 0.74 POLB (0.48) 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.