SCHEMBL4358296

SCHEMBL4358296

CCOc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)c(OCC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.45
CYP3A4 P08684 13/20 0.45
CLK4 Q9HAZ1 13/20 0.45
CYP2D6 P10635 12/20 0.45
ALDH1A1 P00352 11/20 0.45
HSD17B10 Q99714 10/20 0.45
CYP2C19 P33261 10/20 0.45
TSHR P16473 7/20 0.45
MAPK1 P28482 6/20 0.45
ALOX15 P16050 2/20 0.45
LMNA P02545 4/20 0.45
MAP4K4 O95819 2/20 0.42
USP2 O75604 7/20 0.41
CLK1 P49759 1/20 0.41
CCNC P24863 1/20 0.41
HTT P42858 1/20 0.41
CDK8 P49336 1/20 0.41
HIF1A Q16665 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 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
SCHEMBL18041186 0.87 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4354815 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4357544 0.85 CYP3A4 (0.51) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4355483 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4359538 0.80 MEN1 (0.53) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4363808 0.79 CLK4 (0.48) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4351224 0.78 CYP1A2 (0.48) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4353347 0.77 MEN1 (0.49) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4357016 0.77 MAP4K4 (0.50) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4357101 0.77 CLK4 (0.62) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1

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 7 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-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 (3 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 1131/4885CYP3A4 256/4885CLK4 957/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP1A2 1131/4885CYP3A4 256/4885CLK4 957/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP1A2 1129/4885CYP3A4 274/4885CLK4 960/4885

“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.