SCHEMBL3334648

SCHEMBL3334648

CC(C)Oc1nc(N)nc2ccc(-c3ccc(Cl)cc3Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
ATM Q13315 2/20 0.45
HSP90AB1 P08238 3/20 0.44
HSP90AA1 P07900 2/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.37
MAP4K4 O95819 2/20 0.37
POLB P06746 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DPP4 P27487 1/20 0.36
CLK1 P49759 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
BACE1 P56817 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL3336601 0.88 ALOX5AP (0.41) CNR1CNR2ATMHSP90AB1MAPT
SCHEMBL3337214 0.86 ATM (0.53) CNR1CNR2ATMHSP90AB1MAPT
SCHEMBL3334631 0.83 MAP4K4 (0.53) ATMHSP90AB1MAPTMAP4K4BACE1
SCHEMBL3335492 0.81 ALOX5AP (0.42) ATMHSP90AB1MAPTL3MBTL1MAP4K4
SCHEMBL3335288 0.79 FEN1 (0.50) ATMCLK1ALOX5APFEN1
SCHEMBL3333937 0.78 DHFR (0.48) ATMHSP90AB1MAPTCDK1CCNB1
SCHEMBL3335084 0.78 HRH3 (0.43) CNR1HSP90AB1HSP90AA1BACE1
SCHEMBL3335845 0.78 ALOX5AP (0.40) ATMHSP90AB1MAPTMAP4K4ALOX5AP
SCHEMBL3333131 0.77 HSP90AB1 (0.47) ATMHSP90AB1MAPTCDK1CCNB1
SCHEMBL3332604 0.76 AAK1 (0.44) ATMMAP4K4GSK3B

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 CNR1 62/4885CNR2 109/4885ATM 4820/4885

“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.