SCHEMBL4985170

SCHEMBL4985170

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PDE2A O00408 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.42
HSP90AB1 P08238 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
TACR1 P25103 1/20 0.41
GAA P10253 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
ABCB1 P08183 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
SCHEMBL4986744 0.91 HSP90AB1 (0.50) KDM4EALDH1A1MAPTTSHRPDE2A
SCHEMBL4990769 0.86 MTNR1B (0.45) KDM4EMAPTPDE2ADHFRHSP90AB1
SCHEMBL4982816 0.85 BCHE (0.46) KDM4EALDH1A1MEN1KMT2ADHFR
SCHEMBL4985337 0.83 DHFR (0.52) SMN1; SMN2DHFRABCB1
SCHEMBL4990692 0.82 KDM4E (0.52) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL4985030 0.81 SIGMAR1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4988449 0.81 DHFR (0.45) KDM4EMAPTTSHRKMT2ADHFR
SCHEMBL4985277 0.81 MAPT (0.40) KDM4EMAPTLMNATSHRMEN1
SCHEMBL4982522 0.81 DHFR (0.53) MAPTLMNAMEN1KMT2ADHFR
SCHEMBL4986767 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTLMNATSHR

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 4128/4885MAPK1 546/4885ALDH1A1 3640/4885

“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.