SCHEMBL5099651

SCHEMBL5099651

COc1ccc(CCNc2nc(-c3ccncc3)cc(=O)n2C)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.70
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2402713 0.87 GSK3B (0.76) GSK3BMAPTCYP3A4KDM4EALDH1A1
SCHEMBL2403904 0.84 GSK3B (0.75) GSK3BCYP2D6
SCHEMBL5105275 0.84 GSK3B (0.61) GSK3BMAPT
SCHEMBL2403885 0.84 GSK3B (0.81) GSK3B
SCHEMBL2405613 0.84 GSK3B (0.81) GSK3B
SCHEMBL2403556 0.83 GSK3B (0.70) GSK3B
SCHEMBL2404400 0.83 GSK3B (0.79) GSK3BCYP3A4
SCHEMBL5038068 0.83 GSK3B (0.79) GSK3B
SCHEMBL2404034 0.83 GSK3B (0.79) GSK3BCYP3A4
SCHEMBL5045756 0.83 GSK3B (0.79) 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 2/4885SMN1; SMN2 645/4885PKM 438/4885

“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.