SCHEMBL4359620

SCHEMBL4359620

CCOC(=O)CCOc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 14/20 0.48
HSD17B10 Q99714 11/20 0.48
CYP3A4 P08684 10/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 12/20 0.46
CLK4 Q9HAZ1 11/20 0.46
CYP2D6 P10635 8/20 0.46
CYP2C19 P33261 8/20 0.46
USP2 O75604 7/20 0.46
LMNA P02545 5/20 0.46
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 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
SCHEMBL4353861 0.92 CLK4 (0.54) HTTALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4359538 0.85 MEN1 (0.53) HTTALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4359613 0.85 CYP1A2 (0.49) HTTALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4359413 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4362467 0.80 CLK4 (0.47) HTTALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4355612 0.80 CYP1A2 (0.49) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4353858 0.80 CLK4 (0.59) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4779717 0.80 BRAF (0.43)
SCHEMBL4355763 0.79 HPGD (0.56) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4362807 0.79 CLK4 (0.47) HTTALDH1A1HSD17B10CYP3A4TSHR

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 HTT 2808/4885ALDH1A1 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 HTT 2808/4885ALDH1A1 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 HTT 2522/4885ALDH1A1 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 HTT 2545/4885ALDH1A1 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 HTT 2545/4885ALDH1A1 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.