SCHEMBL4986063

SCHEMBL4986063

CCCC(C)CN1CCc2c(N)ncnc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.32
KDR P35968 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
ADA P00813 1/20 0.32
HSP90B1 P14625 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL4989114 0.83 COMT (0.35) LIMK1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4985387 0.81 DRD2 (0.43) LIMK1KDRADORA2AADORA2BADORA1
SCHEMBL4989502 0.81 RAD52 (0.42) LIMK1ADORA2AADORA1
SCHEMBL4985157 0.80 GRIA1 (0.39) LIMK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4982902 0.79 ADORA2A (0.40) KDRADORA2AADORA2BADORA1
SCHEMBL4992460 0.78 FYN (0.45) LIMK1
SCHEMBL4988741 0.77 KDR (0.44) KDR
SCHEMBL4991248 0.77 GNRHR (0.36) LIMK1
SCHEMBL4978663 0.75 TLR7 (0.41)
SCHEMBL4986780 0.74 PI4KA (0.39) LIMK1

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 1960/4885KDR 3574/4885GRIA1 793/4885

“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.