SCHEMBL1264088

SCHEMBL1264088

CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(-c3cc(N4CCOCC4)nc(-c4ccc(CO)o4)n3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RHOA P61586 6/20 0.43
GBA1 P04062 1/20 0.42
GLA P06280 1/20 0.42
TP53BP1 Q12888 3/20 0.41
USP30 Q70CQ3 1/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IRAK1 P51617 1/20 0.39

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 0.90 GBA1 (0.43) RHOAGBA1GLATP53BP1USP30
SCHEMBL1263675 0.87 GBA1 (0.46) RHOAGBA1GLATP53BP1USP30
SCHEMBL4937383 0.86 PIK3CA (0.48) RHOAGBA1GLATP53BP1USP30
SCHEMBL1263690 0.84 SCN9A (0.44) RHOAGBA1GLATP53BP1USP30
SCHEMBL1262403 0.82 MEN1 (0.42) GBA1GLAMEN1KMT2A
SCHEMBL1263343 0.78 ITGA2B (0.49) GBA1GLAMEN1KMT2A
SCHEMBL1263685 0.77 PTPN1 (0.45) GBA1GLASCN9AMEN1KMT2A
SCHEMBL1262935 0.76 PTPN1 (0.44) GBA1GLASCN9AMEN1KMT2A
SCHEMBL1262989 0.74 PTPN1 (0.50) GBA1GLAMEN1KMT2A
SCHEMBL4605845 0.74 PTPN1 (0.50) GBA1GLAMEN1KMT2A

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
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

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 RHOA 2555/4885GBA1 2705/4885GLA 3373/4885

“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.