SCHEMBL4983036

SCHEMBL4983036

Nc1ncnc2c1CCN(Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LIMK1 P53667 1/20 0.45
CLPP Q16740 6/20 0.42
GPR132 Q9UNW8 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CYP3A4 P08684 1/20 0.41
COMT P21964 1/20 0.41
GRM2 Q14416 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHKA P35790 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL4980855 0.88 LIMK1 (0.45) RPS6KB1LIMK1
SCHEMBL4985989 0.86 KDM4E (0.50) KDM4EALDH1A1LIMK1CLPPDRD2
SCHEMBL4988556 0.86 LIMK1 (0.47) RPS6KB1KDM4EALDH1A1LIMK1CLPP
SCHEMBL4987940 0.85 ALDH1A1 (0.47) ALDH1A1LIMK1DRD4
SCHEMBL4985467 0.85 LIMK1 (0.48) LIMK1CLPPDRD2DRD4
SCHEMBL4992362 0.85 LIMK1 (0.48) RPS6KB1KDM4EALDH1A1LIMK1DRD2
SCHEMBL4992461 0.84 LIMK1 (0.47) KDM4EALDH1A1LIMK1CLPP
SCHEMBL4989371 0.84 LIMK1 (0.47) KDM4EALDH1A1LIMK1CLPPDRD2
SCHEMBL4982960 0.83 LIMK1 (0.61) KDM4EALDH1A1LIMK1
SCHEMBL4988923 0.83 PDE2A (0.42) RPS6KB1GRM2

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 RPS6KB1 710/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.