SCHEMBL6419615

SCHEMBL6419615

CCCCCCc1c(C)nc(N)nc1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.55
TLR7 Q9NYK1 10/20 0.55
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6414929 0.93 TLR8 (0.56) TLR8TLR7
SCHEMBL12495810 0.91 TLR8 (0.47) TLR8TLR7ALDH1A1ATM
SCHEMBL12496117 0.83 TLR8 (0.47) TLR8TLR7
SCHEMBL1684911 0.81 TLR8 (0.44) TLR8TLR7ALDH1A1
SCHEMBL9499496 0.79 TLR8 (0.60) TLR8TLR7
SCHEMBL14270034 0.79 TLR8 (0.47) TLR8TLR7ALDH1A1
SCHEMBL6419045 0.79 TLR8 (0.55) TLR8TLR7ATMGAA
SCHEMBL4986988 0.79 TLR8 (0.55) TLR8TLR7ATMGAA
SCHEMBL16229363 0.78 TLR8 (0.65) TLR8TLR7
SCHEMBL15305985 0.77 DHFR (0.47) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951866-B2 Bicyclic pyrimidine compounds and therapeutic use thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-10-04 US disclosed
EP-1110951-B1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-05-19 EP disclosed
US-20030105323-A1 Pyrimidine derivative SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-06-05 US disclosed
US-6458798-B1 HAS AN INHIBITORY ACTIVITY OF PRODUCTION OF TH2 TYPE CYTOKINES SUCH AS IL-4, IL-5, ETC., AND IS USEFUL AS AN THERAPEUTIC AGENT FOR ALLERGIC DISEASES, AUTOIMMUNE DISEASES SUCH AS SYSTEMIC LUPUS ERYTHEMATHOSUS, ETC., AND ACQUIRED SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-10-01 US disclosed
EP-1110951-A1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-27 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-20030105323-A1 Pyrimidine derivative IL5, IL4, IL15 TLR8 209/4885TLR7 97/4885ALDH1A1 1331/4885

“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.