SCHEMBL3334682

SCHEMBL3334682

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(O)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK10 P53779 1/20 0.48
MAP4K4 O95819 2/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LIMK1 P53667 1/20 0.46
PDE10A Q9Y233 2/20 0.46
SULT1A1 P50225 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 2/20 0.45

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
SCHEMBL4357022 0.88 MAP4K4 (0.54) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL3334286 0.85 SMN1; SMN2 (0.51) HTTSMN1; SMN2L3MBTL1MAPK10KMT2A
SCHEMBL4349685 0.85 HTT (0.47) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL4357591 0.84 MAPK10 (0.48) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL3335960 0.84 KMT2A (0.46) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL3334664 0.81 MAP4K4 (0.47) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL3337787 0.81 MAPK10 (0.43) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL3335192 0.81 TTK (0.47) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4
SCHEMBL4354005 0.80 APP (0.50) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL4363755 0.80 APP (0.52) HTTSMN1; SMN2L3MBTL1MAPK10MAP4K4

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 HTT 3738/4885SMN1; SMN2 3749/4885L3MBTL1 3418/4885

“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.