SCHEMBL4594791

SCHEMBL4594791

COc1cc(Nc2ccn3ncc(-c4cccc(C(N)=O)c4)c3n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 1.00
FYN P06241 8/20 0.62
RET P07949 2/20 0.57
TGFBR2 P37173 1/20 0.50
BRAF P15056 4/20 0.49
RAF1 P04049 1/20 0.49
SYK P43405 2/20 0.47
PTK2 Q05397 1/20 0.45

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
SCHEMBL14357025 0.93 PIK3CG (0.87) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL4556978 0.92 PIK3CG (0.85) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL4595806 0.86 PIK3CG (0.76) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL4344758 0.86 PIK3CG (0.75) PIK3CGFYNTGFBR2BRAF
SCHEMBL4325681 0.86 PIK3CG (0.75) PIK3CGFYNTGFBR2BRAF
SCHEMBL4341278 0.85 PIK3CG (0.75) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL4340607 0.85 PIK3CG (0.73) PIK3CGFYNTGFBR2BRAF
SCHEMBL4594025 0.84 PIK3CG (0.72) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL14302657 0.84 FYN (0.76) PIK3CGFYNRETTGFBR2BRAF
SCHEMBL4335832 0.84 PIK3CG (0.72) PIK3CGFYNRETPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK PIK3CG 756/4885FYN 151/4885RET 911/4885

“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.