SCHEMBL4358140

SCHEMBL4358140

CC(C)CCNc1ncnc2ccc(-c3ccc(N4CCN(C)CC4)nc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP1A2 P05177 8/20 0.47
CYP3A4 P08684 8/20 0.47
CLK4 Q9HAZ1 7/20 0.47
CYP2D6 P10635 6/20 0.47
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 5/20 0.44
USP2 O75604 4/20 0.44
HIF1A Q16665 1/20 0.44
MAP4K4 O95819 1/20 0.44
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 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
SCHEMBL4353350 0.89 TLR9 (0.45) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4362418 0.88 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4353089 0.83 CNR1 (0.43) LMNAMAP4K4MAPTPIK3CAPIK3CD
SCHEMBL4359250 0.80 CCNC (0.51) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4351115 0.79 EGFR (0.54) ATMCYP1A2CYP3A4CLK4CYP2D6
SCHEMBL4354985 0.79 MAP4K4 (0.56) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4354834 0.79 CLK4 (0.50) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4355879 0.79 IRAK4 (0.53) ATMCYP1A2CYP3A4CLK4CYP2D6
SCHEMBL4359106 0.79 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL4355569 0.79 CDK1 (0.60) 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 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 ATM 4668/4885CYP1A2 1131/4885CYP3A4 256/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 ATM 4668/4885CYP1A2 1131/4885CYP3A4 256/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ATM 4616/4885CYP1A2 1129/4885CYP3A4 274/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ATM 4639/4885CYP1A2 1078/4885CYP3A4 271/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ATM 4639/4885CYP1A2 1078/4885CYP3A4 271/4885

“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.