SCHEMBL3335706

SCHEMBL3335706

CCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
MAP4K4 O95819 2/20 0.39
TRIM58 Q8NG06 1/20 0.39
DHODH Q02127 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
GSK3B P49841 1/20 0.38
PRKD3 O94806 1/20 0.38
MAPK8 P45983 1/20 0.38
MAP4K2 Q12851 1/20 0.38
PKN2 Q16513 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
PIK3CA P42336 2/20 0.38
PLA2G2A P14555 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA1 P30542 2/20 0.38
MAPT P10636 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 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
SCHEMBL3336253 0.95 PTGS1 (0.42) NAMPTMAP4K4TRIM58DHODHADORA3
SCHEMBL3335675 0.91 MAPT (0.41) MAP4K4TRIM58DHODHADORA3ADORA2A
SCHEMBL3334852 0.90 MAPK14 (0.41) NAMPTMAP4K4TRIM58DHODHADORA3
SCHEMBL3339894 0.90 BRAF (0.47) ADORA3MAPK8ALDH1A1MAPTCYP2C19
SCHEMBL3341530 0.86 PIK3CA (0.44) MAP4K4TRIM58DHODHADORA3ADORA2A
SCHEMBL3340764 0.85 CYP1A2 (0.43) MAP4K4DHODHADORA3ADORA2APIK3CA
SCHEMBL3334534 0.85 DHODH (0.48) TRIM58DHODHADORA3PIK3CAALDH1A1
SCHEMBL3341092 0.85 ACHE (0.48) ADORA3MAPK8PIK3CAPLA2G2AALDH1A1
SCHEMBL3336607 0.85 BRAF (0.46) ADORA3MAPK8PLA2G2AALDH1A1LMNA
SCHEMBL3333859 0.84 TRIM58 (0.55) MAP4K4TRIM58MAPK14

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 NAMPT 2914/4885MAP4K4 2433/4885TRIM58 1431/4885

“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.