SCHEMBL4988562

SCHEMBL4988562

CCCCCCCCc1c(N)nc(S(C)(=O)=O)nc1CC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.37
GCGR P47871 1/20 0.35
GHSR Q92847 4/20 0.35
DHFR P00374 2/20 0.34
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4992343 0.77 TLR8 (0.40) TLR8GCGRDHFRTLR7ALDH1A1
SCHEMBL4375162 0.76 DHFR (0.49) TLR8GCGRDHFRTLR7
SCHEMBL468531 0.68 CYP2D6 (0.53) TLR8DHFRTLR7ALDH1A1
SCHEMBL17545030 0.67 DHFR (0.54) TLR8GHSRDHFRTLR7
SCHEMBL10368091 0.66 TLR8 (0.42) TLR8DHFRTLR7
SCHEMBL8708770 0.65 DHFR (0.41) TLR8GCGRDHFRTLR7ALDH1A1
SCHEMBL29112521 0.64 TLR8 (0.52) TLR8GCGRDHFRTLR7
SCHEMBL9499496 0.62 TLR8 (0.60) TLR8DHFRTLR7
SCHEMBL12495463 0.62 TLR8 (0.47) TLR8DHFRTLR7ALDH1A1
SCHEMBL1091936 0.62 DHFR (0.47) TLR8GHSRDHFRTLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176744-A1 Use of 4-Aminopyrimidines for Controlling Harmful Fungi, Novel 4-Aminopyrimidines, Processes for Their Preparation and Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
EP-1858327-A1 USE OF 4-AMINOPYRIMIDINES FOR THE PREVENTION OF FUNGAL PESTS NOVEL 4-AMINOPYRIMIDINES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-28 EP disclosed
WO-2006094994-A1 USE OF 4-AMINOPYRIMIDINES FOR THE PREVENTION OF FUNGAL PESTS NOVEL 4-AMINOPYRIMIDINES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20080176744-A1 Use of 4-Aminopyrimidines for Controlling Harmful Fungi, Novel 4-Aminopyrimidines, Processes for Their Preparation and Compositions Comprising Them RRM2B, CBR3, RRM2 TLR8 3417/4885GCGR 2845/4885GHSR 4168/4885

“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.