SCHEMBL4355285

SCHEMBL4355285

CC(C)CCNc1ncnc2ccc(-c3cccc(C(N)=O)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.54
BRAF P15056 2/20 0.54
MAP4K4 O95819 3/20 0.53
CYP1A2 P05177 11/20 0.52
CYP3A4 P08684 10/20 0.52
CLK4 Q9HAZ1 10/20 0.52
ALDH1A1 P00352 10/20 0.52
HSD17B10 Q99714 9/20 0.52
USP2 O75604 7/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C19 P33261 6/20 0.52
LMNA P02545 5/20 0.52
HIF1A Q16665 4/20 0.50
TSHR P16473 3/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 3/20 0.46
CCNE2 O96020 1/20 0.46

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
SCHEMBL4353222 0.90 CYP1A2 (0.56) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4361101 0.88 CYP1A2 (0.62) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4364165 0.86 CYP1A2 (0.52) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4355763 0.86 HPGD (0.56) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4349812 0.86 CYP1A2 (0.50) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4363909 0.85 MAP4K4 (0.49) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4353687 0.85 CYP1A2 (0.51) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4351310 0.84 ALDH1A1 (0.51) MAP4K4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4358668 0.84 CYP1A2 (0.57) RAF1MAP4K4CYP1A2CYP3A4CLK4
SCHEMBL4353661 0.84 CYP1A2 (0.57) RAF1MAP4K4CYP1A2CYP3A4CLK4

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 RAF1 3208/4885BRAF 4414/4885MAP4K4 1801/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 RAF1 3208/4885BRAF 4414/4885MAP4K4 1801/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 RAF1 3230/4885BRAF 4496/4885MAP4K4 1921/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 RAF1 3412/4885BRAF 4460/4885MAP4K4 1837/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 RAF1 3412/4885BRAF 4460/4885MAP4K4 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.