SCHEMBL4358571

SCHEMBL4358571

CC(=O)N1CCN(c2ncnc3ccc(-c4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.65
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
CLK4 Q9HAZ1 5/20 0.57
CYP3A4 P08684 3/20 0.57
HIF1A Q16665 2/20 0.57
HTT P42858 1/20 0.54
HSD17B10 Q99714 4/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 2/20 0.53
MAPK1 P28482 2/20 0.53
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2C9 P11712 1/20 0.51
AKT2 P31751 1/20 0.51

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
SCHEMBL4354995 0.88 ACHE (0.58) AKT1ACHEBACE1CLK4CYP3A4
SCHEMBL16646813 0.86 AKT1 (0.60) AKT1CLK4CYP3A4HIF1A
SCHEMBL4356104 0.86 ACHE (0.56) AKT1ACHEBACE1CLK4CYP3A4
SCHEMBL29765666 0.86 AKT1 (0.60) AKT1CLK4CYP3A4HIF1A
SCHEMBL4366557 0.84 CYP3A4 (0.70) AKT1CLK4CYP3A4HIF1AHTT
SCHEMBL4357963 0.83 ACHE (0.73) ACHEBACE1CLK4CYP3A4HIF1A
SCHEMBL30734129 0.83 ACHE (0.55) AKT1ACHEBACE1CLK4CYP3A4
SCHEMBL4365740 0.82 AKT1 (0.51) AKT1
SCHEMBL4361869 0.81 HTT (0.55) AKT1CLK4CYP3A4HIF1AHTT
SCHEMBL4358540 0.81 PDGFRB (0.61) AKT1PDGFRBPDGFRA

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
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

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 AKT1 4330/4885ACHE 4515/4885BACE1 4342/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 AKT1 4330/4885ACHE 4515/4885BACE1 4342/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 AKT1 4341/4885ACHE 4468/4885BACE1 4089/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 AKT1 4255/4885ACHE 4535/4885BACE1 4232/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 AKT1 4255/4885ACHE 4535/4885BACE1 4232/4885

“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.