SCHEMBL4356833

SCHEMBL4356833

Cc1cccnc1-c1ccc2ncnc(NCCC(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 16/20 0.52
CYP3A4 P08684 14/20 0.52
CYP2D6 P10635 13/20 0.52
CYP1A2 P05177 13/20 0.52
ALDH1A1 P00352 12/20 0.52
CYP2C19 P33261 12/20 0.52
HSD17B10 Q99714 10/20 0.52
TSHR P16473 9/20 0.52
MAPK1 P28482 7/20 0.52
ALOX15 P16050 3/20 0.52
USP2 O75604 8/20 0.49
HIF1A Q16665 4/20 0.49
LMNA P02545 6/20 0.48
CYP2C9 P11712 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAP4K4 O95819 2/20 0.48
DYRK1A Q13627 1/20 0.45
APEX1 P27695 1/20 0.44

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
SCHEMBL4355900 0.81 MAP4K4 (0.60) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4353257 0.81 CLK4 (0.49) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4360601 0.80 MAP4K4 (0.56) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4353144 0.80 CYP3A4 (0.49) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4353682 0.80 MAP4K4 (0.50) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4357544 0.79 CYP3A4 (0.51) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4353261 0.78 MAP4K4 (0.54) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL31003507 0.78 MAP4K4 (0.53) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4351915 0.78 MAP4K4 (0.53) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL4361135 0.78 MAP4K4 (0.62) CLK4CYP3A4CYP2D6CYP1A2ALDH1A1

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 957/4885CYP3A4 256/4885CYP2D6 807/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CLK4 957/4885CYP3A4 256/4885CYP2D6 807/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CLK4 960/4885CYP3A4 274/4885CYP2D6 847/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CLK4 1192/4885CYP3A4 271/4885CYP2D6 810/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CLK4 1192/4885CYP3A4 271/4885CYP2D6 810/4885

“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.