SCHEMBL4351350

SCHEMBL4351350

Nc1nc(NC2CCCCC2)c2cc(-c3ccc(Br)s3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 4/20 0.46
KCNH2 Q12809 3/20 0.42
PDE5A O76074 2/20 0.40
ACP1 P24666 2/20 0.40
TLR7 Q9NYK1 2/20 0.39
OGG1 O15527 1/20 0.38
CNR1 P21554 1/20 0.38
NSD2 O96028 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
TGFBR1 P36897 1/20 0.37
ROCK1 Q13464 1/20 0.37
AURKB Q96GD4 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
APP P05067 1/20 0.37
MERTK Q12866 1/20 0.36
CCR4 P51679 1/20 0.36

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
SCHEMBL4361896 0.88 PDE5A (0.49) CD38KCNH2PDE5AACP1TLR7
SCHEMBL4354875 0.88 CD38 (0.47) CD38KCNH2PDE5AACP1TLR7
SCHEMBL4358532 0.84 CD38 (0.44) CD38KCNH2PDE5AACP1TLR7
SCHEMBL4353532 0.84 CD38 (0.44) CD38KCNH2PDE5AACP1TLR7
SCHEMBL4358208 0.81 SNCA (0.40) APP
SCHEMBL4367800 0.81 IRAK4 (0.50) PDE5AACP1TLR7OGG1NSD2
SCHEMBL4362134 0.81 IRAK4 (0.55) CD38PDE5AACP1OGG1IRAK4
SCHEMBL4355856 0.80 ACP1 (0.55) PDE5AACP1TLR7OGG1NSD2
SCHEMBL4367524 0.80 IRAK4 (0.45) CD38KCNH2PDE5AACP1OGG1
SCHEMBL4359661 0.80 IRAK4 (0.51) PDE5AACP1TLR7OGG1CNR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 claimed
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 claimed
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 claimed
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 claimed
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 CD38 908/4885KCNH2 1412/4885PDE5A 1763/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CD38 908/4885KCNH2 1412/4885PDE5A 1763/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CD38 752/4885KCNH2 1316/4885PDE5A 1773/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CD38 693/4885KCNH2 1266/4885PDE5A 1591/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CD38 693/4885KCNH2 1266/4885PDE5A 1591/4885

“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.