SCHEMBL4358376

SCHEMBL4358376

CC(C)CCNc1ncnc2ccc(C(=O)OC(C)(C)C)cc12.O=C1C2CC=CCN12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 7/20 0.37
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CDK1 P06493 4/20 0.34
PIK3CD O00329 1/20 0.34
CYP2D6 P10635 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL4356010 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4353733 0.77 ALDH1A1 (0.39) CCRL2PDE5AALDH1A1HSD17B10CYP3A4
SCHEMBL4353687 0.76 CYP1A2 (0.51) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4355896 0.75 ABCG2 (0.34) ALDH1A1KDM4EHPGD
SCHEMBL4350168 0.71 CSNK2A1 (0.35) PDE5ACNR1
SCHEMBL4364147 0.70 CYP3A4 (0.52) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4358246 0.67 CYP1A2 (0.42) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4360353 0.67 PIK3CD (0.45) ALDH1A1HSD17B10CYP3A4TSHRCYP1A2
SCHEMBL4360334 0.67 PIK3CD (0.49) ALDH1A1HSD17B10CYP3A4CYP1A2CLK4
SCHEMBL4358577 0.67 ABCG2 (0.32)

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 6 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-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
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 (4 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CCRL2 263/4885PDE5A 1763/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CCRL2 738/4885PDE5A 1773/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CCRL2 744/4885PDE5A 1591/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CCRL2 744/4885PDE5A 1591/4885ALDH1A1 3119/4885

“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.