SCHEMBL4986960

SCHEMBL4986960

COc1cc(OC)cc(C(=O)N2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
PDGFRB P09619 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
GRM5 P41594 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL4985380 0.89 ALDH1A1 (0.51) ALDH1A1GRM5CA1CA2CA7
SCHEMBL4989547 0.88 HPGD (0.49) ALDH1A1GAAKMT2AGRM5CA1
SCHEMBL4989398 0.83 MAPK1 (0.58) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL4988859 0.82 P2RX7 (0.43) GRM5
SCHEMBL4980919 0.81 HSP90AB1 (0.52) KDM4EALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4992444 0.81 NPC1 (0.49) KDM4EALDH1A1MAPTKMT2ARAB9A
SCHEMBL4990817 0.80 PKM (0.46) KDM4EALDH1A1MAPTKMT2APKM
SCHEMBL4985624 0.79 P2RX7 (0.49) ALDH1A1GRM5
SCHEMBL4983101 0.78 HPGD (0.49) KDM4EMAPTKMT2AGRM5
SCHEMBL4988578 0.78 TSHR (0.47) ALDH1A1GAATSHRMAPTKMT2A

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 4128/4885ALDH1A1 3640/4885GAA 4179/4885

“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.