SCHEMBL3334852

SCHEMBL3334852

COCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
MAPK10 P53779 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAP4K4 O95819 2/20 0.40
MAPK1 P28482 5/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRIM58 Q8NG06 1/20 0.38
BRAF P15056 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
NAMPT P43490 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL3335706 0.90 NAMPT (0.42) MAPK14MAP4K4ALDH1A1MAPTDHODH
SCHEMBL3336288 0.90 MOK (0.47) MAPK10MALT1ALDH1A1MAPTKDM4E
SCHEMBL3336253 0.89 PTGS1 (0.42) MAP4K4ALDH1A1MAPTDHODHTRIM58
SCHEMBL3335675 0.88 MAPT (0.41) MAP4K4ALDH1A1MAPTDHODHKDM4E
SCHEMBL3340764 0.87 CYP1A2 (0.43) MAP4K4ALDH1A1MAPTDHODHPIK3CD
SCHEMBL3332780 0.86 ACHE (0.48) MAPK1MALT1ALDH1A1KDM4EHSD17B10
SCHEMBL3341530 0.85 PIK3CA (0.44) MAP4K4ALDH1A1MAPTDHODHKDM4E
SCHEMBL3334534 0.84 DHODH (0.48) ALDH1A1DHODHKDM4ETRIM58PIK3CA
SCHEMBL3333859 0.83 TRIM58 (0.55) MAPK14MAPK10MAP4K4TRIM58
SCHEMBL3334893 0.82 MAPK14 (0.49) MAPK14PIK3CAADORA2A

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 MAPK14 2920/4885MAPK10 2778/4885SQOR 744/4885

“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.