SCHEMBL3333686

SCHEMBL3333686

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NCCN(C)C)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
MCHR1 Q99705 1/20 0.43
HPGD P15428 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAP4K4 O95819 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MELK Q14680 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EGFR P00533 1/20 0.41
TOP2A P11388 1/20 0.41
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL3340852 0.87 NAMPT (0.44) MCHR1HPGDALDH1A1TLR8TLR7
SCHEMBL3335835 0.87 ALDH1A1 (0.53) BRAFMCHR1HPGDHDAC4HDAC1
SCHEMBL3337836 0.86 KDM4E (0.42) HPGDHDAC4HDAC1ALDH1A1NAMPT
SCHEMBL3336523 0.84 IP6K1 (0.47) HDAC4HDAC1HDAC6MAP4K4ALDH1A1
SCHEMBL3336495 0.84 MKNK1 (0.42) MCHR1HPGDPIK3CAMTORHDAC1
SCHEMBL3336068 0.83 TP53 (0.49) HPGDHDAC1MAP4K4TP53EGFR
SCHEMBL3341434 0.83 MELK (0.46) BRAFHPGDHDAC4HDAC1HDAC6
SCHEMBL3336047 0.83 RXRA (0.38) MCHR1HDAC1HDAC6
SCHEMBL3338819 0.81 CYP3A4 (0.47) HPGDALDH1A1TP53LMNA
SCHEMBL3333930 0.81 MAPK14 (0.49) HPGD

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 4 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
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 2516/4885MCHR1 2172/4885HPGD 3242/4885

“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.