SCHEMBL1262935

SCHEMBL1262935

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3nc(-c4ccc(C=O)o4)cc(N4CCOCC4)n3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
GBA1 P04062 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MTOR P42345 7/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CG P48736 4/20 0.41
ATR Q13535 2/20 0.41
GLA P06280 1/20 0.41
AURKB Q96GD4 1/20 0.40
MAPT P10636 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL1263702 0.87 GBA1 (0.43) GBA1GLASCN9A
SCHEMBL4605845 0.84 PTPN1 (0.50) PTPN1PTPN2PTPN6GBA1NPC1
SCHEMBL1262989 0.84 PTPN1 (0.50) PTPN1PTPN2PTPN6GBA1NPC1
SCHEMBL27682777 0.83 PTPN1 (0.41) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1263685 0.82 PTPN1 (0.45) PTPN1PTPN2PTPN6GBA1NPC1
SCHEMBL4937383 0.78 PIK3CA (0.48) GBA1PIK3CAPIK3CGGLASCN9A
SCHEMBL5170032 0.76 PIK3CA (0.36) MTORPIK3CAPIK3CGATRMAPT
SCHEMBL1264088 0.76 RHOA (0.43) GBA1GLASCN9AMEN1KMT2A
SCHEMBL1262554 0.75 PTPN1 (0.60) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1263343 0.75 ITGA2B (0.49) GBA1NPC1RAB9AMTORPIK3CA

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 PTPN1 1727/4885PTPN2 1729/4885PTPN6 1785/4885

“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.