SCHEMBL1264089

SCHEMBL1264089

COc1ncc(-c2cc(N3CCOCC3)nc(-c3cccc(NC(=O)C4CCNCC4)c3)n2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA2B P08514 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
RAF1 P04049 4/20 0.40
BRAF P15056 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.40

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
SCHEMBL27701926 0.87 NPC1 (0.48) ITGA2BNPC1RAB9AUSP2LMNA
SCHEMBL4604862 0.80 PIK3CA (0.58) ITGA2BNPC1RAB9AGBA1MAPT
SCHEMBL4603008 0.80 PIK3CA (0.53) ITGA2BNPC1RAB9AGBA1GLA
SCHEMBL4604848 0.80 ITGA2B (0.49) ITGA2BUSP2LMNAGBA1MEN1
SCHEMBL4938514 0.80 PIK3CA (0.53) ITGA2BNPC1RAB9AGBA1GLA
SCHEMBL1262425 0.79 ITGA2B (0.51) ITGA2BNPC1RAB9ALMNAGBA1
SCHEMBL1263343 0.78 ITGA2B (0.49) ITGA2BNPC1RAB9AGBA1MEN1
SCHEMBL1262898 0.77 MTOR (0.52) NPC1RAB9ABRAFMAPTHSD17B10
SCHEMBL4604545 0.77 PIK3CA (0.51) ITGA2BNPC1RAB9AGBA1ALDH1A1
SCHEMBL1262282 0.75 PTPN2 (0.46) NPC1RAB9AMEN1KMT2AKDM4E

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-7893063-B2 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA UK LIMITED (GB) 2009-06-04 US disclosed
EP-1773824-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-18 EP disclosed
WO-2006005915-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-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, PIK3CB, TYMP ITGA2B 1882/4885NPC1 4247/4885RAB9A 1523/4885

“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.