SCHEMBL3336347

SCHEMBL3336347

CCCCOc1ncnc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
MAP4K4 O95819 4/20 0.50
RAF1 P04049 2/20 0.49
BRAF P15056 2/20 0.49
MAP3K8 P41279 1/20 0.47
KDR P35968 3/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
MAPK10 P53779 1/20 0.46
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EGFR P00533 2/20 0.44
FDPS P14324 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3339885 0.94 RAB9A (0.54) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3338478 0.90 RAB9A (0.56) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3338466 0.89 RAB9A (0.53) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3337222 0.84 MAP4K4 (0.55) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3336607 0.84 BRAF (0.46) RAB9ABRAFHPGDRECQLMAPK10
SCHEMBL3335821 0.84 HPGD (0.44) MAP4K4BRAFHPGDRECQLMAPK10
SCHEMBL3338589 0.83 RAB9A (0.52) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3340886 0.82 MAP4K4 (0.48) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3335286 0.82 RAB9A (0.56) RAB9AMAP4K4RAF1BRAFMAP3K8
SCHEMBL3337576 0.82 RAB9A (0.51) RAB9AMAP4K4RAF1BRAFMAP3K8

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 RAB9A 1092/4885MAP4K4 2433/4885RAF1 1071/4885

“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.