SCHEMBL4989437

SCHEMBL4989437

Cn1cccc1CN1CCc2c(N)ncnc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 4/20 0.33
BRS3 P32247 1/20 0.32
DHFR P00374 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CD44 P16070 1/20 0.32
PIK3CD O00329 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL4982960 0.78 LIMK1 (0.61) LIMK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4985387 0.76 DRD2 (0.43) LIMK1DRD2DRD4DRD3
SCHEMBL4989371 0.76 LIMK1 (0.47) LIMK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4988053 0.76 ALDH1A1 (0.58) LIMK1ALDH1A1DHFRDRD2DRD4
SCHEMBL4989502 0.76 RAD52 (0.42) LIMK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4986127 0.75 LIMK1 (0.47) LIMK1KDM4EALDH1A1
SCHEMBL4992362 0.74 LIMK1 (0.48) LIMK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4985467 0.74 LIMK1 (0.48) LIMK1MEN1KMT2APARP1DHFR
SCHEMBL13532587 0.74 HSD11B1 (0.39) MEN1KMT2A
SCHEMBL4988948 0.74 LIMK1 (0.43) LIMK1MEN1KMT2APARP1KDM4E

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 LIMK1 1960/4885MEN1 4853/4885KMT2A 4614/4885

“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.