SCHEMBL3334893

SCHEMBL3334893

CC(=O)Nc1nc(OCCN2CCOCC2)c2cc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
PIK3CA P42336 2/20 0.47
MOK Q9UQ07 5/20 0.46
CD274 Q9NZQ7 1/20 0.45
AURKB Q96GD4 1/20 0.43
AVPR1B P47901 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CNR2 P34972 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL3336361 0.92 MOK (0.51) PIK3CAMOKGRM4
SCHEMBL3339979 0.88 KIT (0.48) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL5127444 0.85 AVPR1B (0.39) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL3335706 0.83 NAMPT (0.42) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL5146071 0.82 MAP3K11 (0.45) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL3339873 0.82 MOK (0.50) PIK3CAMOKGRM4
SCHEMBL3336253 0.82 PTGS1 (0.42) PIK3CAADORA2AADORA1
SCHEMBL3334852 0.82 MAPK14 (0.41) MAPK14PIK3CAADORA2A
SCHEMBL3334174 0.81 ADORA2A (0.54) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL3335675 0.81 MAPT (0.41) PIK3CAADORA2AADORA1

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 MAPK14 2920/4885MAPK13 2635/4885MAPK12 3325/4885

“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.