SCHEMBL4918926

SCHEMBL4918926

CCCCCCc1c(CCCC)nc2cc(C)nn2c1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TLR7 Q9NYK1 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS2 P35228 1/20 0.34
DHFR P00374 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR2 P41597 2/20 0.33
DPP4 P27487 1/20 0.33
TLR8 Q9NR97 2/20 0.33
MAOB P27338 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4918063 1.00 KDM4E (0.40) KDM4ETLR7HPGDNPSR1NOS2
SCHEMBL4910627 1.00 KDM4E (0.40) KDM4ETLR7HPGDNPSR1NOS2
SCHEMBL4921299 1.00 KDM4E (0.40) KDM4ETLR7HPGDNPSR1NOS2
SCHEMBL4892593 0.97 KDM4E (0.42) KDM4ETLR7HPGDNPSR1NOS2
SCHEMBL14182277 0.96 KDM4E (0.43) KDM4ETLR7HPGDNOS2NPC1
SCHEMBL4923190 0.95 KDM4E (0.40) KDM4ETLR7HPGDDHFRNPC1
SCHEMBL4913865 0.95 KDM4E (0.40) KDM4ETLR7HPGDDHFRNPC1
SCHEMBL4918451 0.95 KDM4E (0.40) KDM4ETLR7HPGDDHFRNPC1
SCHEMBL4917607 0.95 KDM4E (0.40) KDM4ETLR7HPGDDHFRNPC1
SCHEMBL14113724 0.93 KDM4E (0.41) KDM4ETLR7HPGDNOS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171657-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-07-17 US 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-20080171657-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds ERG28, AGPS, MTAP KDM4E 960/4885TLR7 1393/4885HPGD 2464/4885

“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.