SCHEMBL3334949

SCHEMBL3334949

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OC4CCCC4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK10 P53779 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
KMT2A Q03164 7/20 0.40
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 6/20 0.40
ALDH1A1 P00352 5/20 0.40
RORC P51449 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL3334512 0.91 ABL1 (0.42) MAPK10ALDH1A1ADORA3TRIM58
SCHEMBL3337132 0.88 CYP2D6 (0.42) CYP2D6CYP2C9MAPK10HTTSMN1; SMN2
SCHEMBL3334990 0.87 PIK3CD (0.50) ADORA3
SCHEMBL3333219 0.84 PIK3CD (0.51) BRAFMAPK10RAB9ATDP1
SCHEMBL3336432 0.83 BRAF (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3337025 0.82 TRIM58 (0.56) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3338081 0.80 BRAF (0.46) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3331750 0.80 TTK (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3336752 0.80 BRAF (0.46) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL5129286 0.80 NPR1 (0.35) MOKNAMPT

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 BRAF 2516/4885CYP2D6 40/4885CYP2C9 211/4885

“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.