SCHEMBL4359613

SCHEMBL4359613

CCOC(=O)C(C)Oc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.49
ALDH1A1 P00352 13/20 0.49
CLK4 Q9HAZ1 13/20 0.49
CYP3A4 P08684 12/20 0.49
HSD17B10 Q99714 11/20 0.49
CYP2D6 P10635 9/20 0.49
USP2 O75604 8/20 0.49
CYP2C19 P33261 8/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.47
HIF1A Q16665 5/20 0.46
MAPK1 P28482 4/20 0.45
CLK1 P49759 2/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4353858 0.93 CLK4 (0.59) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4359413 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4359620 0.85 HTT (0.51) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4351893 0.85 CLK4 (0.52) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4359538 0.85 MEN1 (0.53) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4362467 0.82 CLK4 (0.47) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4362807 0.81 CLK4 (0.47) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4355763 0.81 HPGD (0.56) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4364720 0.80 CLK4 (0.47) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10
SCHEMBL4353861 0.79 CLK4 (0.54) CYP1A2ALDH1A1CLK4CYP3A4HSD17B10

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 8 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
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 CYP1A2 1131/4885ALDH1A1 2743/4885CLK4 957/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP1A2 1131/4885ALDH1A1 2743/4885CLK4 957/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP1A2 1129/4885ALDH1A1 2942/4885CLK4 960/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885ALDH1A1 3119/4885CLK4 1192/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885ALDH1A1 3119/4885CLK4 1192/4885

“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.