SCHEMBL4430428

SCHEMBL4430428

Nc1ncc(C2CC2)c(C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
DHFR P00374 4/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
TDO2 P48775 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1331029 0.88 ACHE (0.36) HRH2HRH3ADORA2AADORA1DHFR
SCHEMBL30714999 0.81 DHFR (0.41) ADORA2AADORA1DHFRALOX5APFEN1
SCHEMBL2444528 0.81 DHFR (0.41) ADORA2AADORA1DHFRALOX5APFEN1
SCHEMBL18031198 0.78 HRH2 (0.41) HRH2HRH3ADORA2AADORA1
SCHEMBL27855933 0.78 BCL6 (0.39) HRH2HRH3ADORA2AADORA1DHFR
SCHEMBL23534336 0.78 GRM4 (0.38) HRH2HRH3ADORA2AADORA1DHFR
SCHEMBL30060829 0.78 ALDH1A1 (0.37) ADORA2AADORA1ALOX5APFEN1HSD17B10
SCHEMBL23534278 0.78 ALDH1A1 (0.37) ADORA2AADORA1ALOX5APFEN1HSD17B10
SCHEMBL3829257 0.76 CHRNB4 (0.46) HRH3
SCHEMBL3565817 0.73 FEN1 (0.43) DHFRALOX5APFEN1TDO2

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-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US disclosed
US-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 US disclosed

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-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions PDE7A, CHRM3, PDE4B HRH2 933/4885HRH3 792/4885ADORA2A 54/4885

“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.