SCHEMBL4933780

SCHEMBL4933780

CC(=O)NCC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 4/20 0.56
PIK3CA P42336 14/20 0.54
MTOR P42345 7/20 0.54
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PIK3CG P48736 6/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CD O00329 5/20 0.46
PIK3R1 P27986 2/20 0.46

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
SCHEMBL4937799 0.91 PIK3CA (0.56) MOKPIK3CAMTORMAPTTSHR
SCHEMBL4936053 0.91 PIK3CA (0.55) MOKPIK3CAMTORMAPTTSHR
SCHEMBL4940741 0.82 PIK3CA (0.53) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4936580 0.82 PIK3CA (0.55) PIK3CAMTORMAPTPIK3CGPIK3CB
SCHEMBL4941254 0.81 PIK3CA (0.52) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4937415 0.81 PIK3CA (0.60) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4605158 0.81 PIK3CA (0.55) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4936144 0.81 PIK3CA (0.51) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4941258 0.80 PIK3CA (0.53) PIK3CAMTORMAPTTSHRMAPK1
SCHEMBL4931017 0.80 PIK3CA (0.47) MOKPIK3CAMTORMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 US disclosed
CN-101010317-A 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-01 CN disclosed
EP-1778681-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006005918-A1 2, 4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 WO 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-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB MOK 1004/4885PIK3CA 1/4885MTOR 288/4885

“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.