SCHEMBL3336253

SCHEMBL3336253

CCCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.40
NAMPT P43490 1/20 0.40
PLA2G2A P14555 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
FAAH O00519 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 0.39
DHODH Q02127 2/20 0.38
TRIM58 Q8NG06 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
GSK3B P49841 1/20 0.38
PIK3CA P42336 1/20 0.37
RARG P13631 1/20 0.37

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 0.95 NAMPT (0.42) MAPTNAMPTPLA2G2AMAPK8MAP4K4
SCHEMBL3336607 0.90 BRAF (0.46) PLA2G2AMAPK8MAPK9MEN1KMT2A
SCHEMBL3335675 0.90 MAPT (0.41) MAPTMAPK8MAP4K4DHODHTRIM58
SCHEMBL3334852 0.89 MAPK14 (0.41) MAPTNAMPTMAP4K4DHODHTRIM58
SCHEMBL3341513 0.85 ACHE (0.48) PLA2G2AFAAHMEN1KMT2AADORA3
SCHEMBL3341530 0.85 PIK3CA (0.44) MAPTMEN1KMT2AMAP4K4DHODH
SCHEMBL3339894 0.85 BRAF (0.47) MAPTMAPK8MEN1KMT2AADORA3
SCHEMBL3340764 0.84 CYP1A2 (0.43) MAPTPLA2G2AMAP4K4DHODHADORA3
SCHEMBL3334534 0.84 DHODH (0.48) DHODHTRIM58ADORA3PIK3CAADORA1
SCHEMBL3333859 0.83 TRIM58 (0.55) MAP4K4TRIM58

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 5 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
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 PTGS1 3222/4885PTGS2 3559/4885MAPT 4259/4885

“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.