SCHEMBL4354966

SCHEMBL4354966

CC(C)CCNc1ncnc2ccc(-c3ccc(-c4cccs4)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 15/20 0.54
DYRK1A Q13627 6/20 0.53
MAP4K4 O95819 2/20 0.53
CYP2D6 P10635 8/20 0.52
CYP2C19 P33261 8/20 0.52
CYP1A2 P05177 7/20 0.52
CYP3A4 P08684 7/20 0.52
LMNA P02545 7/20 0.52
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 6/20 0.52
CYP2C9 P11712 5/20 0.52
MAPK1 P28482 5/20 0.52
HIF1A Q16665 4/20 0.52
TSHR P16473 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
USP2 O75604 5/20 0.49
RECQL P46063 3/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL4355900 0.85 MAP4K4 (0.60) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4360601 0.84 MAP4K4 (0.56) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4351915 0.82 MAP4K4 (0.53) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4361135 0.82 MAP4K4 (0.62) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4359000 0.82 MAP4K4 (0.56) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL31003507 0.82 MAP4K4 (0.53) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4362968 0.81 MAP4K4 (0.54) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4351893 0.81 CLK4 (0.52) CLK4DYRK1AMAP4K4CYP2D6CYP2C19
SCHEMBL4362368 0.81 MAP4K4 (0.52) CLK4MAP4K4CYP2D6CYP2C19CYP1A2
SCHEMBL4362413 0.81 MAP4K4 (0.52) CLK4MAP4K4CYP2D6CYP2C19CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US claimed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES 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 (5 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CLK4 957/4885DYRK1A 1601/4885MAP4K4 1801/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CLK4 957/4885DYRK1A 1601/4885MAP4K4 1801/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CLK4 960/4885DYRK1A 1513/4885MAP4K4 1921/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CLK4 1192/4885DYRK1A 1767/4885MAP4K4 1837/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CLK4 1192/4885DYRK1A 1767/4885MAP4K4 1837/4885

“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.