SCHEMBL4357360

SCHEMBL4357360

CC(C)CCNc1ncnc2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.57
PIK3CA P42336 9/20 0.57
PIK3CB P42338 8/20 0.57
PIK3CG P48736 7/20 0.57
KCNH2 Q12809 6/20 0.57
MTOR P42345 1/20 0.56
CDK1 P06493 3/20 0.53
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
MAP4K2 Q12851 1/20 0.52
HASPIN Q8TF76 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
USP2 O75604 6/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CLK4 Q9HAZ1 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MAP4K4 O95819 1/20 0.47
CYP2D6 P10635 2/20 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
SCHEMBL4355569 0.92 CDK1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL4355285 0.83 RAF1 (0.54) USP2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4353593 0.82 CDK1 (0.51) CDK1CCNCCDK8MAP4K2HASPIN
SCHEMBL4353175 0.82 CYP1A2 (0.62) CDK1USP2CYP1A2CYP3A4CLK4
SCHEMBL4361101 0.81 CYP1A2 (0.62) CDK1USP2CYP1A2CYP3A4CLK4
SCHEMBL4363909 0.81 MAP4K4 (0.49) USP2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4355763 0.80 HPGD (0.56) USP2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4349812 0.80 CYP1A2 (0.50) USP2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4364165 0.80 CYP1A2 (0.52) USP2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL4353687 0.79 CYP1A2 (0.51) USP2CYP1A2CYP3A4CLK4ALDH1A1

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 PIK3CD 4161/4885PIK3CA 3986/4885PIK3CB 4068/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 PIK3CD 4161/4885PIK3CA 3986/4885PIK3CB 4068/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 PIK3CD 4183/4885PIK3CA 4078/4885PIK3CB 4278/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 PIK3CD 3942/4885PIK3CA 3799/4885PIK3CB 4011/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 PIK3CD 3942/4885PIK3CA 3799/4885PIK3CB 4011/4885

“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.