SCHEMBL4937562

SCHEMBL4937562

NCc1ccc(NC(=O)c2cccc(-c3cc(N4CCOCC4)nc(-c4cccc(CO)c4)n3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.54
MTOR P42345 5/20 0.54
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HDAC6 Q9UBN7 1/20 0.48
PIK3CG P48736 4/20 0.47
PIK3CD O00329 1/20 0.47
RAF1 P04049 5/20 0.47
BRAF P15056 5/20 0.47
PIK3CB P42338 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4941254 0.95 PIK3CA (0.52) PIK3CAMTORRAB9ANPC1PIK3CG
SCHEMBL4940741 0.94 PIK3CA (0.53) PIK3CAMTORRAB9ANPC1HDAC6
SCHEMBL4603463 0.93 NPC1 (0.54) PIK3CAMTORRAB9ANPC1PIK3CG
SCHEMBL4932980 0.93 NPC1 (0.54) PIK3CAMTORRAB9ANPC1PIK3CG
SCHEMBL5217585 0.85 PIK3CA (0.49) PIK3CAMTORRAB9ANPC1PIK3CG
SCHEMBL4936891 0.84 PIK3CA (0.62) PIK3CAMTORHDAC6PIK3CGPIK3CD
SCHEMBL4605158 0.84 PIK3CA (0.55) PIK3CAMTORRAB9ANPC1PIK3CG
SCHEMBL4939462 0.83 PIK3CA (0.55) PIK3CAMTORHDAC6PIK3CGPIK3CD
SCHEMBL4938348 0.83 PIK3CA (0.63) PIK3CAMTORHDAC6PIK3CGPIK3CD
SCHEMBL4941258 0.82 PIK3CA (0.53) PIK3CAMTORRAB9ANPC1PIK3CG

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-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

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 PIK3CA 1/4885MTOR 288/4885RAB9A 1875/4885

“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.