SCHEMBL4985337

SCHEMBL4985337

COc1ccc(CN2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.52
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
BRS3 P32247 1/20 0.46
DRD2 P14416 5/20 0.46
DRD4 P21917 4/20 0.46
LIMK1 P53667 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
CLPP Q16740 3/20 0.42
DRD3 P35462 3/20 0.41
PTGIR P43119 1/20 0.41
COMT P21964 1/20 0.41

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
SCHEMBL4986800 0.89 KDM4E (0.44) DHFRDRD2LIMK1SMN1; SMN2
SCHEMBL4982522 0.88 DHFR (0.53) DHFRDRD2DRD4LIMK1
SCHEMBL4985030 0.86 SIGMAR1 (0.50) DRD2DRD4LIMK1SIGMAR1KCNH2
SCHEMBL4989371 0.86 LIMK1 (0.47) DRD2DRD4LIMK1CLPPDRD3
SCHEMBL4989378 0.86 LIMK1 (0.51) DHFRLIMK1
SCHEMBL4990763 0.85 LIMK1 (0.43) DHFRBRS3LIMK1
SCHEMBL4987940 0.85 ALDH1A1 (0.47) DRD4LIMK1KCNH2
SCHEMBL4983022 0.85 KDM4E (0.46) ABCB1ABCC1ABCG2
SCHEMBL4992362 0.85 LIMK1 (0.48) DRD2DRD4LIMK1SIGMAR1KCNH2
SCHEMBL4992461 0.84 LIMK1 (0.47) DHFRLIMK1CLPP

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 DHFR 4248/4885ABCB1 141/4885ABCC1 1268/4885

“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.