SCHEMBL4353733

SCHEMBL4353733

CC(C)CCNc1ncnc2ccc(C(=O)OC(C)(C)CN3CC=CCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDE5A O76074 1/20 0.37
TSHR P16473 1/20 0.37
CDK1 P06493 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 3/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAP4K2 Q12851 1/20 0.34
HASPIN Q8TF76 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
CCRL2 O00421 1/20 0.34

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
SCHEMBL4358376 0.77 CCRL2 (0.37) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4355892 0.75 TLR7 (0.33) ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL4356010 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4353687 0.72 CYP1A2 (0.51) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4350165 0.71 NSD2 (0.40) CNR1
SCHEMBL4354948 0.69 EGFR (0.45)
SCHEMBL4359413 0.68 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4355569 0.67 CDK1 (0.60) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4353222 0.67 CYP1A2 (0.56) ALDH1A1HSD17B10CYP3A4CYP1A2USP2
SCHEMBL4360353 0.67 PIK3CD (0.45) ALDH1A1HSD17B10CYP3A4CYP1A2USP2

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 8 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
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 (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 ALDH1A1 2743/4885HSD17B10 1268/4885CYP3A4 256/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ALDH1A1 2942/4885HSD17B10 1102/4885CYP3A4 274/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HSD17B10 1177/4885CYP3A4 271/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HSD17B10 1177/4885CYP3A4 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.