SCHEMBL4940879

SCHEMBL4940879

O=C(Nc1cc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)ccc1F)C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.45
MTOR P42345 9/20 0.45
PIK3CG P48736 5/20 0.43
PARP1 P09874 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PIK3CB P42338 2/20 0.39
CDK9 P50750 2/20 0.39
SHMT2 P34897 1/20 0.39
CCNT1 O60563 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4930763 0.89 PIK3CA (0.48) PIK3CAMTORPIK3CGJAK2JAK3
SCHEMBL4937545 0.89 JAK2 (0.51) PIK3CAMTORPIK3CGJAK2JAK3
SCHEMBL4937769 0.88 MTOR (0.45) PIK3CAMTORPIK3CGJAK2JAK3
SCHEMBL4941066 0.83 PIK3CA (0.50) PIK3CAMTORPIK3CGHDAC6PIK3CB
SCHEMBL5182755 0.82 PIK3CA (0.45) PIK3CAMTORPIK3CGJAK2JAK3
SCHEMBL4603008 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4938514 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4936958 0.79 PIK3CA (0.54) PIK3CAMTORPIK3CGJAK2JAK3
SCHEMBL4938601 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL5172345 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBMAPT

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-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
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 PIK3CA 1/4885MTOR 288/4885PIK3CG 5/4885

“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.