SCHEMBL3336288

SCHEMBL3336288

COCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.47
BRAF P15056 5/20 0.46
MAPK10 P53779 1/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
GRM4 Q14833 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.40
ATM Q13315 2/20 0.40
PDE10A Q9Y233 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL3334852 0.90 MAPK14 (0.41) BRAFMAPK10KDM4EALDH1A1ADORA3
SCHEMBL3339894 0.90 BRAF (0.47) MOKBRAFMAPK10KMT2AKDM4E
SCHEMBL3336607 0.89 BRAF (0.46) MOKBRAFMAPK10KMT2AKDM4E
SCHEMBL3337175 0.88 MOK (0.46) MOKBRAFMAPK10KMT2AKDM4E
SCHEMBL3331750 0.88 TTK (0.48) MOKBRAFMAPK10KMT2AKDM4E
SCHEMBL3332780 0.87 ACHE (0.48) KMT2AKDM4EMEN1ALDH1A1ADORA3
SCHEMBL3336432 0.86 BRAF (0.48) BRAFMAPK10KMT2AKDM4EMEN1
SCHEMBL3338466 0.84 RAB9A (0.53) MOKBRAFMAPK10KMT2AKDM4E
SCHEMBL3335653 0.84 SYK (0.45) BRAFMAPK10KMT2AKDM4EMEN1
SCHEMBL3340079 0.84 JAK2 (0.47) BRAFMAPK10KMT2AKDM4EMEN1

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 4 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

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

“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.