SCHEMBL3333897

SCHEMBL3333897

Nc1nc(OCCF)c2cc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MAP4K4 O95819 1/20 0.40
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MELK Q14680 6/20 0.39
LIPG Q9Y5X9 1/20 0.37
TTK P33981 1/20 0.37
KLK7 P49862 1/20 0.37
NPC1 O15118 1/20 0.37
SLC6A12 P48065 1/20 0.37
ALOX5AP P20292 1/20 0.37
MCL1 Q07820 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL3341799 0.89 RAB9A (0.48) HPGDMAP4K4RAB9AMEN1KMT2A
SCHEMBL3335749 0.88 HPGD (0.42) HPGDMAP4K4RAB9AMEN1KMT2A
SCHEMBL3335167 0.87 SMYD3 (0.47) MAP4K4RAB9AMEN1KMT2ALIPG
SCHEMBL3335020 0.87 CNR1 (0.38) MAP4K4ALOX5AP
SCHEMBL3340835 0.83 HPGD (0.42) HPGDRAB9AMEN1KMT2AMELK
SCHEMBL3334272 0.83 SMYD3 (0.43) MAP4K4RAB9AMEN1KMT2ANPC1
SCHEMBL3332984 0.81 MEN1 (0.46) RAB9AMEN1KMT2ALIPGTTK
SCHEMBL3336526 0.78 CNR1 (0.46) MELK
SCHEMBL5129389 0.78 BMPR1B (0.43) HPGDLIPGSMYD3
SCHEMBL3337490 0.77 LMNA (0.44) MAP4K4RAB9AMEN1KMT2ANPC1

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 HPGD 3242/4885MAP4K4 2433/4885RAB9A 1092/4885

“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.