SCHEMBL4604839

SCHEMBL4604839

CC1CN(c2cc(-c3cccc(CO)c3)nc(-c3cccc(NC(=O)C4CCNCC4)c3)n2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA2B P08514 1/20 0.45
PIK3CA P42336 5/20 0.43
MTOR P42345 5/20 0.43
PIK3CG P48736 2/20 0.43
AKT1 P31749 2/20 0.40
ABL1 P00519 1/20 0.40
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
PDPK1 O15530 2/20 0.39
AURKA O14965 1/20 0.39
ROCK1 Q13464 1/20 0.39
AURKB Q96GD4 1/20 0.39
F10 P00742 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4603008 0.89 PIK3CA (0.53) ITGA2BPIK3CAMTORPIK3CGMAPT
SCHEMBL4938514 0.89 PIK3CA (0.53) ITGA2BPIK3CAMTORPIK3CGMAPT
SCHEMBL4604242 0.82 PIK3CA (0.53) PIK3CAMTORPIK3CGLMNAMAPT
SCHEMBL4930763 0.81 PIK3CA (0.48) ITGA2BPIK3CAMTORPIK3CGF10
SCHEMBL4941066 0.79 PIK3CA (0.50) PIK3CAMTORPIK3CGABL1MAPT
SCHEMBL4604862 0.78 PIK3CA (0.58) ITGA2BPIK3CAMTORPIK3CGAKT1
SCHEMBL27705030 0.78 F10 (0.41) ITGA2BPIK3CAMTORPIK3CGABL1
SCHEMBL27680899 0.78 F10 (0.41) ITGA2BPIK3CAMTORPIK3CGABL1
SCHEMBL4604545 0.78 PIK3CA (0.51) ITGA2BPIK3CAMTORPIK3CGMAPT
SCHEMBL4939540 0.77 PIK3CA (0.47) PIK3CAMTORPIK3CGAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
CN-101014590-A 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
EP-1768978-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-04 EP disclosed
WO-2006005914-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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB ITGA2B 2965/4885PIK3CA 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.