SCHEMBL4362004

SCHEMBL4362004

CCOc1cc(-c2ccc3ncnc(NCCC(C)C)c3c2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
ALDH1A1 P00352 9/20 0.42
HSD17B10 Q99714 8/20 0.42
CYP3A4 P08684 7/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 8/20 0.41
CLK4 Q9HAZ1 7/20 0.41
CYP2D6 P10635 5/20 0.41
CYP2C19 P33261 5/20 0.41
USP2 O75604 4/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 5/20 0.41
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PRKDC P78527 2/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL4357802 0.80 RAF1 (0.50) MAP4K4RAF1BRAF
SCHEMBL4776781 0.80 CD38 (0.48) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4356010 0.80 ALDH1A1 (0.54) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4362467 0.79 CLK4 (0.47) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4360256 0.79 ALDH1A1 (0.49) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4353687 0.78 CYP1A2 (0.51) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4356003 0.77 MAP4K4 (0.45) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4360634 0.77 MAP4K4 (0.48) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4359538 0.76 MEN1 (0.53) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4360353 0.76 PIK3CD (0.45) MAP4K4ALDH1A1HSD17B10CYP3A4TSHR

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 MAP4K4 1801/4885ALDH1A1 2743/4885HSD17B10 1268/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 MAP4K4 1801/4885ALDH1A1 2743/4885HSD17B10 1268/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 MAP4K4 1921/4885ALDH1A1 2942/4885HSD17B10 1102/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 MAP4K4 1837/4885ALDH1A1 3119/4885HSD17B10 1177/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 MAP4K4 1837/4885ALDH1A1 3119/4885HSD17B10 1177/4885

“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.