SCHEMBL4986767

SCHEMBL4986767

COc1cccc(CN2CCc3c(N)ncnc3C2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
TACR1 P25103 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HTR5A P47898 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
DHFR P00374 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4982816 0.90 BCHE (0.46) KDM4EKMT2AMEN1ALDH1A1DHFR
SCHEMBL4985277 0.85 MAPT (0.40) KDM4EKMT2AMEN1MAPTTSHR
SCHEMBL4986744 0.80 HSP90AB1 (0.50) KDM4EALDH1A1MAPTTACR1HSP90AA1
SCHEMBL4985170 0.80 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4990692 0.80 KDM4E (0.52) KDM4EKMT2AMEN1ALDH1A1TACR1
SCHEMBL4988449 0.79 DHFR (0.45) KDM4EKMT2AMAPTTSHRDHFR
SCHEMBL4978233 0.78 KDM4E (0.43) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4983022 0.78 KDM4E (0.46) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4988948 0.77 LIMK1 (0.43) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL4985030 0.77 SIGMAR1 (0.50) KDM4EKMT2AMEN1ALDH1A1MAPT

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 KDM4E 4128/4885KMT2A 4614/4885MEN1 4853/4885

“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.