SCHEMBL4913865

SCHEMBL4913865

CCCCCCCCc1c(CCC)nc2cc(C)nn2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
TLR8 Q9NR97 2/20 0.33
POLB P06746 2/20 0.33
MAOB P27338 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
PIK3CG P48736 1/20 0.32
PKM P14618 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 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
SCHEMBL4917607 1.00 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4918451 1.00 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4923190 1.00 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14113724 0.99 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4910627 0.95 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4918063 0.95 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4921299 0.95 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4918926 0.95 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10623166 0.94 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4892593 0.94 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2MEN1

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-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
EP-1856119-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2006092412-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS 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-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 960/4885ALDH1A1 1581/4885NPC1 3875/4885

“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.