SCHEMBL3552584

SCHEMBL3552584

c1ccc(COc2cc(N3CCOCC3)nc(-c3ccc4cc[nH]c4c3)n2)nc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.74
ATR Q13535 3/20 0.56
PDE10A Q9Y233 2/20 0.53
PIK3CG P48736 3/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 2/20 0.49
CYP2C9 P11712 1/20 0.49
FFAR1 O14842 1/20 0.48
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
BRSK1 Q8TDC3 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
BACE1 P56817 1/20 0.43
ATRIP Q8WXE1 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
SCHEMBL3556134 0.85 PIK3CA (1.00) PIK3CAATRPIK3CGPIK3CBMTOR
SCHEMBL1308970 0.84 PIK3CA (0.75) PIK3CAATRPIK3CGPIK3CBMTOR
SCHEMBL3553118 0.84 PIK3CA (0.59) PIK3CAATRPDE10APIK3CGPIK3CB
SCHEMBL4134049 0.83 PIK3CA (0.69) PIK3CAPDE10APIK3CGPIK3CBMTOR
SCHEMBL13406372 0.81 PIK3CA (0.70) PIK3CAATRPIK3CGPIK3CBMTOR
SCHEMBL1309729 0.78 PIK3CA (0.66) PIK3CAATRPIK3CGPIK3CBMTOR
SCHEMBL3550609 0.77 PIK3CA (0.55) PIK3CAPDE10APIK3CGPIK3CBFFAR1
SCHEMBL1311242 0.77 PIK3CA (0.59) PIK3CAATRPIK3CGPIK3CBMTOR
SCHEMBL4134574 0.76 PIK3CA (0.63) PIK3CAPDE10APIK3CGPIK3CBMTOR
SCHEMBL4138044 0.76 PIK3CA (0.73) PIK3CAATRPDE10APIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US claimed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US claimed
EP-1951683-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2008-08-06 EP claimed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO claimed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
EP-1951683-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2008-08-06 EP disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PIK3CA 1/4885ATR 650/4885PDE10A 653/4885

“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.