SCHEMBL4989375

SCHEMBL4989375

CN(C)c1ccc(CN2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LIMK1 P53667 1/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
BRS3 P32247 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE2A O00408 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADK P55263 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL4989371 0.86 LIMK1 (0.47) ALDH1A1LIMK1MAPTLMNAKDM4E
SCHEMBL4992362 0.85 LIMK1 (0.48) HSP90AB1ALDH1A1LIMK1KDM4EMEN1
SCHEMBL4988556 0.84 LIMK1 (0.47) HSP90AB1ALDH1A1LIMK1BRS3KDM4E
SCHEMBL4992461 0.84 LIMK1 (0.47) ALDH1A1LIMK1MAPTTNFNOD2
SCHEMBL4982960 0.83 LIMK1 (0.61) ALDH1A1LIMK1MAPTTDP1BRS3
SCHEMBL4985337 0.83 DHFR (0.52) LIMK1BRS3DHFR
SCHEMBL4980855 0.83 LIMK1 (0.45) LIMK1LMNAPDE2AMEN1KMT2A
SCHEMBL4985467 0.82 LIMK1 (0.48) LIMK1MEN1KMT2ADHFR
SCHEMBL4986800 0.82 KDM4E (0.44) LIMK1MAPTLMNATDP1TNF
SCHEMBL4984842 0.81 MEN1 (0.48) LIMK1LMNAMEN1KMT2A

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 HSP90AB1 1175/4885ALDH1A1 3640/4885LIMK1 1960/4885

“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.