SCHEMBL4355569

SCHEMBL4355569

CC(C)CCNc1ncnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.60
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
MAP4K2 Q12851 1/20 0.54
HASPIN Q8TF76 1/20 0.54
CDK19 Q9BWU1 1/20 0.54
CYP3A4 P08684 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CYP1A2 P05177 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
USP2 O75604 3/20 0.54
MAPKAPK2 P49137 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PIK3CD O00329 5/20 0.47
PIK3CA P42336 4/20 0.47
KCNH2 Q12809 4/20 0.47
PIK3CB P42338 3/20 0.47

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
SCHEMBL4357360 0.92 PIK3CD (0.57) CDK1CCNCCDK8MAP4K2HASPIN
SCHEMBL4353175 0.90 CYP1A2 (0.62) CDK1CYP3A4ALDH1A1HSD17B10CYP1A2
SCHEMBL4353593 0.90 CDK1 (0.51) CDK1CCNCCDK8MAP4K2HASPIN
SCHEMBL4353222 0.82 CYP1A2 (0.56) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4358668 0.80 CYP1A2 (0.57) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4353661 0.80 CYP1A2 (0.57) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4358140 0.79 ATM (0.48) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4362418 0.79 CYP1A2 (0.46) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4359413 0.79 ALDH1A1 (0.56) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4
SCHEMBL4356010 0.78 ALDH1A1 (0.54) CYP3A4ALDH1A1HSD17B10CYP1A2CLK4

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 CDK1 1884/4885CCNC 1372/4885CDK8 781/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CDK1 1884/4885CCNC 1372/4885CDK8 781/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CDK1 1763/4885CCNC 1318/4885CDK8 520/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CDK1 1495/4885CCNC 1191/4885CDK8 441/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CDK1 1495/4885CCNC 1191/4885CDK8 441/4885

“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.