SCHEMBL3333380

SCHEMBL3333380

CC(C)Oc1nc(N)nc2ccc(-c3cccnc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
DHFR P00374 1/20 0.46
CLK4 Q9HAZ1 2/20 0.45
DYRK1A Q13627 2/20 0.45
PIK3CA P42336 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 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
SCHEMBL3332604 0.85 AAK1 (0.44) MKNK1DHFRPIK3CACHEK1JAK2
SCHEMBL3333937 0.82 DHFR (0.48) DHFRPIK3CAPIK3CDPIP5K1CPI4KA
SCHEMBL3334631 0.81 MAP4K4 (0.53) DHFRJAK2MAP4K4ATM
SCHEMBL3337252 0.81 SRC (0.51) MKNK1MKNK2DHFRCLK4DYRK1A
SCHEMBL3333131 0.81 HSP90AB1 (0.47) DHFRPIK3CAPIK3CDPIP5K1CPI4KA
SCHEMBL3336166 0.80 ATM (0.39) DHFRPIK3CAJAK2KDRJAK3
SCHEMBL3337214 0.80 ATM (0.53) DHFRPIK3CAMAP4K4PIK3CDPI4KA
SCHEMBL3338126 0.80 MAP4K4 (0.43) DHFRPIK3CAMAP4K4PIK3CDPI4KA
SCHEMBL3331889 0.79 PIK3CD (0.49) MKNK2CLK4PIK3CAMAP4K4PDGFRB
SCHEMBL3341682 0.79 ADORA2A (0.53) CLK4MAP4K4LMNACYP1A2CYP3A4

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 6 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
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 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 MKNK1 3326/4885MKNK2 3288/4885DHFR 703/4885

“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.