SCHEMBL4355224

SCHEMBL4355224

Cc1ccc(N)cc1-c1ccc2ncnc(NCCC(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.53
CYP2D6 P10635 13/20 0.53
CYP1A2 P05177 13/20 0.53
CLK4 Q9HAZ1 12/20 0.53
CYP2C19 P33261 11/20 0.53
TSHR P16473 10/20 0.53
ALDH1A1 P00352 8/20 0.53
MAPK1 P28482 7/20 0.53
HSD17B10 Q99714 6/20 0.53
ALOX15 P16050 3/20 0.53
USP2 O75604 6/20 0.51
HIF1A Q16665 2/20 0.51
MAP4K4 O95819 3/20 0.46
LMNA P02545 4/20 0.46
CYP2C9 P11712 2/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CASP7 P55210 1/20 0.46
TP53 P04637 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL4354236 0.91 CYP3A4 (0.53) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4351406 0.83 CLK4 (0.48) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4362086 0.83 CLK4 (0.48) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4353394 0.80 EGFR (0.58) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4353257 0.80 CLK4 (0.49) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4353363 0.80 MAP4K4 (0.54) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4355879 0.79 IRAK4 (0.53) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4353682 0.79 MAP4K4 (0.50) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4355900 0.78 MAP4K4 (0.60) CYP3A4CYP2D6CYP1A2CLK4CYP2C19
SCHEMBL4355235 0.77 L3MBTL1 (0.49) CYP3A4CYP2D6CYP1A2CLK4CYP2C19

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 CYP3A4 256/4885CYP2D6 807/4885CYP1A2 1131/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP3A4 256/4885CYP2D6 807/4885CYP1A2 1131/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP3A4 274/4885CYP2D6 847/4885CYP1A2 1129/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP3A4 271/4885CYP2D6 810/4885CYP1A2 1078/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP3A4 271/4885CYP2D6 810/4885CYP1A2 1078/4885

“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.