SCHEMBL4605845

SCHEMBL4605845

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GBA1 P04062 4/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
MTOR P42345 6/20 0.45
PIK3CA P42336 5/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
PIK3CG P48736 3/20 0.44
ATR Q13535 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1262989 0.90 PTPN1 (0.50) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1263685 0.85 PTPN1 (0.45) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1262935 0.84 PTPN1 (0.44) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL4937383 0.81 PIK3CA (0.48) GBA1PIK3CAPIK3CGGLA
SCHEMBL27705047 0.80 PTPN1 (0.46) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1262554 0.80 PTPN1 (0.60) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1262569 0.80 PIK3C2B (0.54) NPC1RAB9AMTORPIK3CAATR
SCHEMBL1263675 0.76 GBA1 (0.46) NPC1RAB9AGBA1GLAALDH1A1
SCHEMBL24147974 0.76 PTPN2 (0.67) PTPN1PTPN2PTPN6NPC1RAB9A
SCHEMBL1263690 0.75 SCN9A (0.44) GBA1GLAAURKB

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 2 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

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 PTPN1 1863/4885PTPN2 1922/4885PTPN6 1861/4885

“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.