SCHEMBL5099607

SCHEMBL5099607

COc1ccc2[nH]cc(CCNc3nc(-c4ccncc4)cc(=O)n3C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CYP1A2 P05177 11/20 0.52
CYP3A4 P08684 11/20 0.52
CYP2C19 P33261 10/20 0.52
CLK4 Q9HAZ1 10/20 0.52
CYP2D6 P10635 10/20 0.52
USP2 O75604 9/20 0.52
HSD17B10 Q99714 6/20 0.52
ALOX15 P16050 5/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CYP2C9 P11712 5/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
HTR2A P28223 2/20 0.50
GLA P06280 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
MTNR1A P48039 3/20 0.49

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
SCHEMBL5096235 0.88 GSK3B (0.61) GSK3BMTNR1AMTNR1BKDM4E
SCHEMBL2404679 0.86 GSK3B (0.66) GSK3B
SCHEMBL5105275 0.83 GSK3B (0.61) GSK3BTP53
SCHEMBL2402713 0.81 GSK3B (0.76) GSK3BCYP3A4HSD17B10ALDH1A1MAPK1
SCHEMBL5098653 0.79 GSK3B (0.58) GSK3BMTNR1AMTNR1B
SCHEMBL2403904 0.78 GSK3B (0.75) GSK3BCYP2D6
SCHEMBL5104869 0.78 GSK3B (0.60) GSK3B
SCHEMBL2403556 0.77 GSK3B (0.70) GSK3BLMNA
SCHEMBL7990994 0.76 HTR2A (0.52) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL2405106 0.75 GSK3B (0.72) GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US claimed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US claimed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 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-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives GSK3A, GSK3B, PSEN2 GSK3B 2/4885CYP1A2 727/4885CYP3A4 2520/4885

“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.