SCHEMBL3339894

SCHEMBL3339894

CCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
MAPK10 P53779 1/20 0.45
MOK Q9UQ07 4/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TTK P33981 1/20 0.42
MAPK8 P45983 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
FDPS P14324 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
RXFP1 Q9HBX9 2/20 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
SCHEMBL3336607 0.94 BRAF (0.46) BRAFMAPK10MOKHTTSMN1; SMN2
SCHEMBL5129448 0.92 JAK2 (0.43) BRAFMOKSMN1; SMN2KMT2AMEN1
SCHEMBL3331750 0.91 TTK (0.48) BRAFMAPK10MOKHTTSMN1; SMN2
SCHEMBL3335706 0.90 NAMPT (0.42) BRAFMAPK8KDM4EALDH1A1MAPT
SCHEMBL3336288 0.90 MOK (0.47) BRAFMAPK10MOKHTTSMN1; SMN2
SCHEMBL3340775 0.88 MAPK10 (0.44) BRAFMAPK10MOKHTTSMN1; SMN2
SCHEMBL3341092 0.86 ACHE (0.48) BRAFMAPK10SMN1; SMN2MAPK8KMT2A
SCHEMBL3336432 0.85 BRAF (0.48) BRAFMAPK10HTTSMN1; SMN2L3MBTL1
SCHEMBL3340079 0.85 JAK2 (0.47) BRAFMAPK10SMN1; SMN2KMT2AMEN1
SCHEMBL3336253 0.85 PTGS1 (0.42) MAPK8KMT2AMEN1ALDH1A1MAPT

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 BRAF 2516/4885MAPK10 2778/4885MOK 1798/4885

“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.