SCHEMBL6315410

SCHEMBL6315410

CCCn1c(=O)c2nc(-c3ccccc3)c(O)nc2n(CCC)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.53
ADORA2A P29274 8/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADORA1 P30542 6/20 0.47
ADORA3 P0DMS8 5/20 0.47

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
SCHEMBL5447101 0.79 KDM4E (0.67) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5449115 0.73 MEN1 (0.45) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5441255 0.73 KDM4E (0.71) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL27304624 0.72 ADORA2B (0.56) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7037369 0.70 ADORA2B (0.88) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL12648449 0.70 ADORA2B (0.67) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL27311216 0.70 ADORA2B (0.54) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5440062 0.69 KDM4E (0.64) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5437071 0.69 ALDH1A1 (0.64) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL661108 0.68 ADORA2B (1.00) ADORA2BADORA2AKDM4EMEN1ALDH1A1

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-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US claimed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US claimed
US-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US disclosed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US disclosed
EP-1187615-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2002-03-20 EP disclosed
WO-2000045800-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-08-10 WO 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-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ADORA2B 2693/4885ADORA2A 573/4885KDM4E 1278/4885

“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.