SCHEMBL3340933

SCHEMBL3340933

COc1ccc(-c2ccc3ncnc(OCC4CC4)c3c2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.64
PIK3CA P42336 8/20 0.64
PIK3CB P42338 8/20 0.64
PIK3CG P48736 8/20 0.64
CLK4 Q9HAZ1 2/20 0.47
MTOR P42345 1/20 0.47
GAK O14976 2/20 0.46
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ERBB2 P04626 1/20 0.43
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
SYK P43405 2/20 0.43
MAP4K4 O95819 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
SCHEMBL3334925 0.83 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3337591 0.83 PIK3CA (0.62) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3337018 0.82 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGGAK
SCHEMBL3336037 0.81 MAP4K4 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3335961 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3335716 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3332824 0.81 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3331678 0.80 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3336456 0.79 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCLK4
SCHEMBL3336424 0.78 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCLK4

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 5 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 claimed
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 claimed
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
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
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 (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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 PIK3CD 2997/4885PIK3CA 2646/4885PIK3CB 3492/4885

“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.