SCHEMBL3336614

SCHEMBL3336614

CC(=O)Nc1ccc(-c2ccc3ncnc(OC(C)C)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.52
RAB9A P51151 1/20 0.49
BRAF P15056 3/20 0.48
RAF1 P04049 2/20 0.48
MAPK10 P53779 1/20 0.47
MAP3K8 P41279 1/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LIMK1 P53667 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDR P35968 1/20 0.43
RORC P51449 1/20 0.42
EGFR P00533 2/20 0.42
CSF1R P07333 1/20 0.41
MTOR P42345 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL3340886 0.89 MAP4K4 (0.48) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3337222 0.86 MAP4K4 (0.55) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3338478 0.84 RAB9A (0.56) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3335815 0.83 MAP4K4 (0.57) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3338081 0.82 BRAF (0.46) RAB9ABRAFMAPK10HTTSMN1; SMN2
SCHEMBL3336939 0.82 MAP4K4 (0.54) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3339885 0.82 RAB9A (0.54) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3337787 0.81 MAPK10 (0.43) MAP4K4RAB9ABRAFMAPK10HTT
SCHEMBL3338466 0.81 RAB9A (0.53) MAP4K4RAB9ABRAFRAF1MAPK10
SCHEMBL3336347 0.81 RAB9A (0.53) MAP4K4RAB9ABRAFRAF1MAPK10

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 MAP4K4 2433/4885RAB9A 1092/4885BRAF 2516/4885

“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.