SCHEMBL3337799

SCHEMBL3337799

CCOc1nc(N)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.46
MAP4K4 O95819 3/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
DYRK1A Q13627 3/20 0.40
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
FLT4 P35916 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL3336058 0.89 DHFR (0.42) DHFRMAP4K4FGFR1FGFR2ADORA2A
SCHEMBL3338161 0.88 DYRK1A (0.40) DHFRMAP4K4DYRK1AGSK3BADORA2A
SCHEMBL3335878 0.84 DYRK1A (0.44) DHFRMAP4K4DYRK1APIM1ADORA2A
SCHEMBL3338165 0.83 ALOX5AP (0.43) MAP4K4CDK1CDK2GSK3B
SCHEMBL3340999 0.82 DHFR (0.40) DHFRMAP4K4ADORA2ANPC1ALDH1A1
SCHEMBL3337583 0.80 MAP4K4 (0.47) DHFRMAP4K4ADORA2APDE10ANPC1
SCHEMBL3338043 0.79 DYRK1A (0.49) DYRK1AGSK3BCLK4ADORA2ANPC1
SCHEMBL4533730 0.78 DHFR (0.35) DHFRMAP4K4ADORA2AALDH1A1MAPK1
SCHEMBL3331148 0.77 DHFR (0.48) DHFRMAP4K4CDK2NPC1ALDH1A1
SCHEMBL3337232 0.77 SQOR (0.38) DHFRMAP4K4ADORA2ATSHR

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 DHFR 703/4885MAP4K4 2433/4885FGFR1 2024/4885

“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.