SCHEMBL4988262

SCHEMBL4988262

CCCCCCCCc1c(N)nc(-n2cncn2)nc1CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4A P27815 5/20 0.36
TLR8 Q9NR97 7/20 0.36
TLR7 Q9NYK1 2/20 0.35
PDE4B Q07343 1/20 0.35
DHFR P00374 2/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL4991839 0.80 ADORA2A (0.46) TLR8TLR7GCGR
SCHEMBL4375162 0.70 DHFR (0.49) CYP2D6TLR8TLR7DHFRGCGR
SCHEMBL4992343 0.68 TLR8 (0.40) TLR8TLR7DHFRGCGR
SCHEMBL17545030 0.65 DHFR (0.54) CYP2D6TLR8TLR7DHFR
SCHEMBL4988562 0.65 TLR8 (0.37) TLR8TLR7DHFRGCGR
SCHEMBL3132086 0.65 GAA (0.45)
SCHEMBL3121971 0.65 GAA (0.45)
SCHEMBL174682 0.65 GAA (0.45)
SCHEMBL3135629 0.65 GAA (0.45)
SCHEMBL3125386 0.65 GAA (0.45)

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 PDE10A 3671/4885CYP1A2 302/4885CYP2D6 187/4885

“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.