SCHEMBL3340079

SCHEMBL3340079

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OCc4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
FDPS P14324 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PPIA P62937 1/20 0.46
TSHR P16473 1/20 0.45
GHSR Q92847 1/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
KDM4E B2RXH2 5/20 0.45
BRAF P15056 1/20 0.45
APP P05067 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL5129448 0.94 JAK2 (0.43) JAK2FDPSCYP11B1CYP11B2PPIA
SCHEMBL3334534 0.91 DHODH (0.48) KDM4EAPPACHEALDH1A1HPGD
SCHEMBL3341282 0.88 GHSR (0.54) JAK2FDPSCYP11B1CYP11B2PPIA
SCHEMBL3331750 0.87 TTK (0.48) FDPSKMT2AMEN1KDM4EBRAF
SCHEMBL3338586 0.87 ACHE (0.54) TSHRKMT2AMEN1KDM4EAPP
SCHEMBL3335286 0.86 RAB9A (0.56) JAK2FDPSCYP11B1CYP11B2PPIA
SCHEMBL3339894 0.85 BRAF (0.47) FDPSKMT2AMEN1KDM4EBRAF
SCHEMBL3336288 0.84 MOK (0.47) FDPSKMT2AMEN1KDM4EBRAF
SCHEMBL3336607 0.84 BRAF (0.46) FDPSKMT2AMEN1KDM4EBRAF
SCHEMBL5129183 0.83 GHSR (0.49) JAK2FDPSCYP11B1CYP11B2PPIA

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 5 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
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 JAK2 1107/4885FDPS 3754/4885CYP11B1 618/4885

“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.