SCHEMBL3336058

SCHEMBL3336058

CCOc1nc(N)nc2ccc(-c3ccc(F)c(F)c3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.42
AAK1 Q2M2I8 1/20 0.39
HSP90AB1 P08238 1/20 0.36
MAP4K4 O95819 3/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ADORA2A P29274 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL3337799 0.89 DHFR (0.46) DHFRAAK1MAP4K4NPC1ALDH1A1
SCHEMBL3337232 0.87 SQOR (0.38) DHFRHSP90AB1MAP4K4PIK3CAMTOR
SCHEMBL3340999 0.85 DHFR (0.40) DHFRAAK1HSP90AB1MAP4K4PIK3CA
SCHEMBL5139806 0.85 TOP2A (0.39) PIK3CAMTORADORA2AATM
SCHEMBL3335492 0.83 ALOX5AP (0.42) DHFRHSP90AB1MAP4K4PIK3CAMTOR
SCHEMBL3335246 0.82 FEN1 (0.41) MTORKMT2A
SCHEMBL3337583 0.81 MAP4K4 (0.47) DHFRAAK1MAP4K4PIK3CAMTOR
SCHEMBL3331148 0.78 DHFR (0.48) DHFRAAK1HSP90AB1MAP4K4NPC1
SCHEMBL3338161 0.77 DYRK1A (0.40) DHFRMAP4K4PIK3CAMTORADORA2A
SCHEMBL3334236 0.77 HSP90AB1 (0.50) DHFRAAK1HSP90AB1MAP4K4NPC1

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
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

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 DHFR 703/4885AAK1 4280/4885HSP90AB1 4854/4885

“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.