SCHEMBL180943

SCHEMBL180943

COc1ccc(-c2ccc3ncnc(Cl)c3c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.55
PIK3CD O00329 5/20 0.54
PIK3CA P42336 5/20 0.54
PIK3CB P42338 5/20 0.54
PIK3CG P48736 5/20 0.54
MTOR P42345 1/20 0.54
CLK4 Q9HAZ1 1/20 0.51
RAF1 P04049 7/20 0.48
BRAF P15056 7/20 0.48
MAP4K4 O95819 2/20 0.48
GAK O14976 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL182771 0.83 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3337591 0.83 PIK3CA (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182924 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183209 0.82 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182889 0.82 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4357510 0.82 MAP4K4 (0.71) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3335439 0.82 BRAF (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3738600 0.81 MAP4K4 (0.71) CLK4MAP4K4TSHRMAPK1HSD17B10
SCHEMBL7156056 0.81 PDGFRB (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4353745 0.79 CYP1A2 (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (2 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 ENPP1 3879/4885PIK3CD 2997/4885PIK3CA 2646/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA ENPP1 1101/4885PIK3CD 6/4885PIK3CA 3/4885

“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.