SCHEMBL5091103

SCHEMBL5091103

CCCCCCCCCc1c(CC)nc2nc(C)nn2c1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
DHFR P00374 1/20 0.31
CCR2 P41597 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5091098 1.00 GCGR (0.35) GCGRALDH1A1TLR8TLR7GAA
SCHEMBL5095240 0.98 GCGR (0.36) GCGRALDH1A1TLR8TLR7GAA
SCHEMBL398247 0.90 TLR8 (0.35) GCGRALDH1A1TLR8TLR7GAA
SCHEMBL5009134 0.87 GCGR (0.33) GCGRALDH1A1TLR8TLR7GAA
SCHEMBL11962954 0.83 ALDH1A1 (0.36) ALDH1A1TLR8TLR7KDM4ENPSR1
SCHEMBL3132086 0.79 GAA (0.45) GAA
SCHEMBL3135629 0.79 GAA (0.45) GAA
SCHEMBL3121971 0.79 GAA (0.45) GAA
SCHEMBL174682 0.79 GAA (0.45) GAA
SCHEMBL3125386 0.79 GAA (0.45) GAA

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-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTINGESELLSCHAFT (DE) 2008-08-28 US claimed
EP-1856118-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2006092411-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO claimed

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-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds CBX7, ERG28, HDHD5 GCGR 4145/4885ALDH1A1 2241/4885TLR8 3456/4885

“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.