SCHEMBL4010774

SCHEMBL4010774

Nc1cc(OCc2cccc(N3CCOCC3)c2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.60
ALKBH1 Q13686 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
DHFR P00374 1/20 0.42
CDC7 O00311 1/20 0.42
AOC3 Q16853 5/20 0.41
PIK3CG P48736 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDK2 P24941 1/20 0.38
PIK3CA P42336 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
PLK4 O00444 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
SCHEMBL4011908 0.79 AGXT (0.52) AGXTDHFRCDC7CDK2PIK3CA
SCHEMBL4016083 0.73 MAOB (0.54) AGXT
SCHEMBL14288609 0.73 AGXT (0.73) AGXTALKBH1MRGPRX4AOC3PIK3CG
SCHEMBL108136 0.71 AGXT (0.69) AGXTDHFRAOC3ALDH1A1
SCHEMBL1263059 0.71 AGXT (0.61) AGXTALKBH1MRGPRX4ALDH1A1ALOX15
SCHEMBL28764461 0.70 AGXT (0.68) AGXTALKBH1MRGPRX4AOC3
SCHEMBL4011220 0.70 MAOB (0.57) MRGPRX4ALDH1A1
SCHEMBL25080771 0.69 AGXT (0.52) AGXTALKBH1MRGPRX4SIRT2SIRT1
SCHEMBL13725027 0.69 AGXT (0.66) AGXTDHFRAOC3
SCHEMBL425652 0.69 AGXT (0.66) AGXTALKBH1MRGPRX4AOC3ALDH1A1

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 AGXT 707/4885ALKBH1 4421/4885MRGPRX4 131/4885

“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.