SCHEMBL4353426

SCHEMBL4353426

CC(C)CCNc1ncnc2ccc(-c3cc(Br)cc4c3OCC4)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
CLK1 P49759 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 14/20 0.43
CYP1A2 P05177 11/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2D6 P10635 10/20 0.43
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 8/20 0.43
USP2 O75604 6/20 0.43
TSHR P16473 5/20 0.43
MAPK1 P28482 3/20 0.43
CYP2C19 P33261 7/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4357341 0.81 CLK1 (0.55) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4358190 0.78 HTT (0.50) HTTCLK1CCNCCDK8CLK4
SCHEMBL4773985 0.77 CD38 (0.51) CLK4CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL4366081 0.76 HTT (0.72) HTTCCNCCDK8CYP1A2CYP2D6
SCHEMBL4355202 0.76 CLK1 (0.69) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4359250 0.73 CCNC (0.51) HTTCLK1CCNCCDK8CLK4
SCHEMBL4357692 0.73 CLK1 (0.65) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4349941 0.73 CD38 (0.48) HTTCLK1CCNCCDK8CLK4
SCHEMBL4353859 0.73 HTT (0.51) HTTCLK1CCNCCDK8CLK4
SCHEMBL4355039 0.73 MAP4K4 (0.46) HTTCLK1CCNCCDK8CLK4

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 HTT 2808/4885CLK1 2890/4885CCNC 1372/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 HTT 2808/4885CLK1 2890/4885CCNC 1372/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 HTT 2522/4885CLK1 2973/4885CCNC 1318/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 HTT 2545/4885CLK1 3567/4885CCNC 1191/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 HTT 2545/4885CLK1 3567/4885CCNC 1191/4885

“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.