SCHEMBL4985463

SCHEMBL4985463

NC(=O)c1n[c]c2c(n1)CN(Cc1ccncc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPN1 P18031 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CLPP Q16740 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL4984714 0.90 KMT2A (0.44) MEN1KMT2APARP1KDM4E
SCHEMBL4992359 0.89 MEN1 (0.41) GRM2MEN1KMT2ACYP2C9CLPP
SCHEMBL4988549 0.88 GRM2 (0.43) GRM2MEN1KMT2AKDM4ECLPP
SCHEMBL4989367 0.88 MEN1 (0.40) GRM2MEN1KMT2APARP1KDM4E
SCHEMBL4992456 0.88 MEN1 (0.40) GRM2MEN1KMT2APARP1KDM4E
SCHEMBL4983033 0.87 GRM2 (0.41) GRM2MEN1KMT2APARP1HIF1A
SCHEMBL4985107 0.87 GRM2 (0.49) GRM2PTPN1PARP1CYP3A4KDM4E
SCHEMBL4988951 0.86 PRKAA2 (0.40) GRM2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4985321 0.85 CFTR (0.44) GRM2HDAC1HDAC6CLPPDRD2
SCHEMBL4984837 0.85 CCR2 (0.41) GRM2MEN1KMT2AKDM4ECLPP

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885MEN1 4853/4885KMT2A 4614/4885

“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.