SCHEMBL3338466

SCHEMBL3338466

COCCOc1ncnc2ccc(-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 6/20 0.50
MAP3K8 P41279 1/20 0.47
RAF1 P04049 2/20 0.47
BRAF P15056 2/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MOK Q9UQ07 1/20 0.46
MAPK10 P53779 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDR P35968 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 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 0.90 RAB9A (0.54) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3336347 0.89 RAB9A (0.53) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3338478 0.87 RAB9A (0.56) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3337222 0.87 MAP4K4 (0.55) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3336288 0.84 MOK (0.47) RAB9ARAF1BRAFALDH1A1MOK
SCHEMBL3337175 0.84 MOK (0.46) MAP4K4BRAFALDH1A1MOKMAPK10
SCHEMBL3338589 0.83 RAB9A (0.52) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3335177 0.83 ALDH1A1 (0.53) MAP4K4RAF1BRAFALDH1A1CYP3A4
SCHEMBL3335286 0.82 RAB9A (0.56) RAB9AMAP4K4MAP3K8RAF1BRAF
SCHEMBL3337576 0.82 RAB9A (0.51) RAB9AMAP4K4MAP3K8RAF1BRAF

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 2433/4885MAP3K8 2844/4885

“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.