SCHEMBL3336601

SCHEMBL3336601

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.38
GRM2 Q14416 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
PDE7A Q13946 1/20 0.35
ADORA2A P29274 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
JAK2 O60674 1/20 0.34
NT5E P21589 1/20 0.34
SCN9A Q15858 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL3334648 0.88 CNR1 (0.47) ALOX5APFEN1ATMMAPTL3MBTL1
SCHEMBL3335288 0.88 FEN1 (0.50) ALOX5APFEN1ATMCLK1ADORA2A
SCHEMBL3338126 0.84 MAP4K4 (0.43) ALOX5APFEN1ATMMAPTCLK1
SCHEMBL3335492 0.81 ALOX5AP (0.42) ALOX5APFEN1ATMMAPTL3MBTL1
SCHEMBL3334043 0.81 MAP4K4 (0.45) ALOX5APFEN1ATMMAPTADORA2A
SCHEMBL3337214 0.79 ATM (0.53) ATMMAPTL3MBTL1CNR1CNR2
SCHEMBL3335845 0.78 ALOX5AP (0.40) ALOX5APFEN1ATMMAPTHSP90AB1
SCHEMBL3335878 0.78 DYRK1A (0.44) ALOX5APFEN1ATMMAPTL3MBTL1
SCHEMBL3338027 0.77 CDK2 (0.40) ALOX5APFEN1CLK1CNR1SCN9A
SCHEMBL3333937 0.76 DHFR (0.48) ATMMAPTHSP90AB1PIK3CA

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 ALOX5AP 2557/4885FEN1 4224/4885ATM 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.