SCHEMBL4990692

SCHEMBL4990692

COc1ccc(Br)cc1CN1CCc2c(N)ncnc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
TACR1 P25103 2/20 0.43
KMT2A Q03164 5/20 0.41
DHFR P00374 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
CCR5 P51681 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL4986744 0.88 HSP90AB1 (0.50) KDM4ETACR1DHFRALDH1A1TSHR
SCHEMBL4982816 0.84 BCHE (0.46) KDM4EKMT2ADHFRALDH1A1MEN1
SCHEMBL4988140 0.84 PDE2A (0.40) DHFRCCR5TSHR
SCHEMBL4985170 0.82 KDM4E (0.56) KDM4ETDP1TACR1KMT2ADHFR
SCHEMBL4983022 0.81 KDM4E (0.46) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4988449 0.81 DHFR (0.45) KDM4EKMT2ADHFRTSHRPOLB
SCHEMBL4985277 0.80 MAPT (0.40) KDM4EKMT2ADHFRLMNAMEN1
SCHEMBL4986767 0.80 KDM4E (0.46) KDM4ETDP1TACR1KMT2ADHFR
SCHEMBL4986701 0.79 KDM4E (0.57) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4992461 0.78 LIMK1 (0.47) KDM4EKMT2ADHFRALDH1A1MEN1

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 4128/4885TDP1 2440/4885TACR1 178/4885

“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.