SCHEMBL3334534

SCHEMBL3334534

CC(=O)Nc1nc(OCc2ccccc2)c2cc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.48
MGLL Q99685 1/20 0.45
ACHE P22303 3/20 0.44
APP P05067 2/20 0.44
PIK3CA P42336 3/20 0.44
BRD4 O60885 1/20 0.44
TRIM58 Q8NG06 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GPR34 Q9UPC5 1/20 0.40
PIK3CG P48736 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3340079 0.91 JAK2 (0.47) ACHEAPPPIK3CAADORA3KDM4E
SCHEMBL3335675 0.87 MAPT (0.41) DHODHPIK3CATRIM58ADORA3ADORA1
SCHEMBL3338586 0.86 ACHE (0.54) DHODHACHEAPPPIK3CAADORA3
SCHEMBL5129448 0.85 JAK2 (0.43) ACHEAPPADORA3KDM4EALDH1A1
SCHEMBL3335706 0.85 NAMPT (0.42) DHODHPIK3CATRIM58ADORA3ADORA1
SCHEMBL3334852 0.84 MAPK14 (0.41) DHODHPIK3CATRIM58ADORA3KDM4E
SCHEMBL3336253 0.84 PTGS1 (0.42) DHODHPIK3CATRIM58ADORA3ADORA1
SCHEMBL3341530 0.84 PIK3CA (0.44) DHODHPIK3CATRIM58ADORA3ADORA1
SCHEMBL3340764 0.83 CYP1A2 (0.43) DHODHACHEAPPPIK3CAADORA3
SCHEMBL3335301 0.83 PIK3CA (0.41) DHODHACHEAPPPIK3CATRIM58

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 DHODH 671/4885MGLL 2808/4885ACHE 3590/4885

“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.