SCHEMBL4989398

SCHEMBL4989398

COc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.49
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4992444 0.91 NPC1 (0.49) MAPK1LMNAMAPTNPC1PDE4B
SCHEMBL4989547 0.85 HPGD (0.49) PDE4BPDE4DHPGDALDH1A1POLB
SCHEMBL4985380 0.84 ALDH1A1 (0.51) PDE4BHPGDALDH1A1L3MBTL1CA1
SCHEMBL4986960 0.83 KDM4E (0.46) MAPTALDH1A1KMT2AKDM4ERAB9A
SCHEMBL4983752 0.82 HTT (0.52) LMNANPC1HPGDALDH1A1MEN1
SCHEMBL4990817 0.82 PKM (0.46) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL4988102 0.81 HTT (0.50) NPC1PDE4BALDH1A1CYP2C19KDM4E
SCHEMBL4984815 0.81 GRM5 (0.48) MEN1KMT2A
SCHEMBL4986041 0.81 HPGD (0.49) HPGD
SCHEMBL4980919 0.81 HSP90AB1 (0.52) LMNAMAPTHPGDALDH1A1KDM4E

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 MAPK1 546/4885LMNA 1911/4885MAPT 4477/4885

“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.