SCHEMBL4351893

SCHEMBL4351893

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.52
ALDH1A1 P00352 12/20 0.52
CYP1A2 P05177 12/20 0.52
CYP3A4 P08684 11/20 0.52
CYP2D6 P10635 9/20 0.52
CYP2C19 P33261 9/20 0.52
USP2 O75604 7/20 0.52
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 11/20 0.51
MAP4K4 O95819 2/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
DYRK1A Q13627 1/20 0.48
CASP1 P29466 1/20 0.48
LMNA P02545 6/20 0.47
TSHR P16473 6/20 0.47
HIF1A Q16665 4/20 0.47
CLK1 P49759 1/20 0.47
ALOX15 P16050 3/20 0.46
NPC1 O15118 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
SCHEMBL4359538 0.88 MEN1 (0.53) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4364720 0.88 CLK4 (0.47) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4362061 0.86 CYP1A2 (0.54) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4355900 0.85 MAP4K4 (0.60) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4359613 0.85 CYP1A2 (0.49) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18041188 0.84 CLK4 (0.48) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4351915 0.84 MAP4K4 (0.53) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31003507 0.84 MAP4K4 (0.53) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4360601 0.84 MAP4K4 (0.56) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4361135 0.84 MAP4K4 (0.62) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6

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 957/4885ALDH1A1 2743/4885CYP1A2 1131/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CLK4 957/4885ALDH1A1 2743/4885CYP1A2 1131/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CLK4 960/4885ALDH1A1 2942/4885CYP1A2 1129/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CLK4 1192/4885ALDH1A1 3119/4885CYP1A2 1078/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CLK4 1192/4885ALDH1A1 3119/4885CYP1A2 1078/4885

“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.