SCHEMBL10276045

SCHEMBL10276045

COc1ccc(C2=CC(=O)C3=NCC(C)=C(c4ccc(F)cc4F)N3N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
AKR1B10 O60218 1/20 0.33
GSK3B P49841 1/20 0.32
AMY1A P0DUB6 1/20 0.32
MAPK14 Q16539 3/20 0.32
ROCK2 O75116 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TDP2 O95551 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL10275642 0.86 PDE3B (0.37) ARMAPK14CHRM2CHRM1CHRM3
SCHEMBL10275483 0.76 ALOX5AP (0.34) APPTDP2
SCHEMBL10276009 0.75 PDE3B (0.36) CYP2C19ARMAPK14CHRM2CHRM1
SCHEMBL6068558 0.67 CYP2C19 (0.55) APPCYP2C19ALDH1A1KDM4EHTT
SCHEMBL10275529 0.67 ALDH1A1 (0.35) APPCYP2C19ARALDH1A1MEN1
SCHEMBL10275945 0.65 AR (0.34) ARMAPK14
SCHEMBL10276472 0.64 PMM2 (0.39) ARMEN1KMT2AMAPK14NPC1
SCHEMBL10276618 0.63 KDM4E (0.35) APPCYP2C19ARALDH1A1MEN1
SCHEMBL12826474 0.61 AR (0.37) APPCYP2C19ARALDH1A1MEN1
SCHEMBL6004654 0.60 GSTP1 (0.57) APPCYP2C19AMY1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 APP 55/4885CYP2C19 620/4885AR 3221/4885

“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.