SCHEMBL4986744

SCHEMBL4986744

COc1ccc(OC)c(CN2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.50
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.45
PDE2A O00408 1/20 0.43
MAPT P10636 1/20 0.43
DHFR P00374 1/20 0.42
TP53 P04637 1/20 0.42
TACR1 P25103 2/20 0.42
ERBB2 P04626 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NPC1 O15118 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4985170 0.91 KDM4E (0.56) HSP90AB1KDM4ETSHRPDE2AMAPT
SCHEMBL4990769 0.88 MTNR1B (0.45) HSP90AB1KDM4EPDE2AMAPTDHFR
SCHEMBL4990692 0.88 KDM4E (0.52) HSP90AB1KDM4ETSHRDHFRTACR1
SCHEMBL4982816 0.85 BCHE (0.46) KDM4EDHFRBCHEACHEALDH1A1
SCHEMBL4985337 0.83 DHFR (0.52) DHFR
SCHEMBL4983022 0.82 KDM4E (0.46) KDM4EMAPTTP53ACHEALDH1A1
SCHEMBL4988449 0.81 DHFR (0.45) HSP90AB1KDM4ETSHRMAPTDHFR
SCHEMBL4985030 0.81 SIGMAR1 (0.50) KDM4EMAPTALDH1A1
SCHEMBL4985277 0.81 MAPT (0.40) KDM4ETSHRMAPTDHFRTP53
SCHEMBL4982522 0.81 DHFR (0.53) MAPTDHFRTP53

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 2 patents. 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 HSP90AB1 1175/4885KDM4E 4128/4885TSHR 3850/4885

“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.