SCHEMBL3333273

SCHEMBL3333273

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(F)(F)F)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PABPC1 P11940 1/20 0.47
PDK2 Q15119 1/20 0.46
CHRNA7 P36544 1/20 0.45
SYK P43405 1/20 0.45
BRAF P15056 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PDE10A Q9Y233 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
HPGD P15428 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3335301 0.91 PIK3CA (0.41) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3336752 0.90 BRAF (0.46) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3334445 0.88 KMT2A (0.46) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3336432 0.86 BRAF (0.48) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3335653 0.86 SYK (0.45) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3336872 0.86 ACHE (0.52) KMT2AKDM4EMEN1BRAFALDH1A1
SCHEMBL3331750 0.83 TTK (0.48) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3338081 0.83 BRAF (0.46) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3336939 0.83 MAP4K4 (0.54) RAB9APDK2SYKBRAFMAPK10
SCHEMBL5131696 0.82 TRIM58 (0.47) KMT2AMEN1PDK2CHRNA7SYK

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 KMT2A 3824/4885KDM4E 3125/4885MEN1 2284/4885

“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.