SCHEMBL4355202

SCHEMBL4355202

CC(C)CCNc1ncnc2ccc(-c3ccc4c(c3)OCCO4)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.69
CLK4 Q9HAZ1 17/20 0.65
DYRK1A Q13627 8/20 0.62
CYP1A2 P05177 5/20 0.61
CYP3A4 P08684 5/20 0.61
CYP2D6 P10635 5/20 0.61
CYP2C19 P33261 5/20 0.61
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
CLK2 P49760 6/20 0.61
DYRK1B Q9Y463 6/20 0.61
CLK3 P49761 4/20 0.61
USP2 O75604 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL4357692 0.97 CLK1 (0.65) CLK1CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL4357341 0.89 CLK1 (0.55) CLK1CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL4355900 0.82 MAP4K4 (0.60) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1675243 0.81 CLK1 (1.00) CLK1CLK4DYRK1ACYP1A2CYP3A4
SCHEMBL4360601 0.81 MAP4K4 (0.56) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4351915 0.81 MAP4K4 (0.53) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4361135 0.81 MAP4K4 (0.62) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL31003507 0.81 MAP4K4 (0.53) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4359000 0.81 MAP4K4 (0.56) CLK1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4359058 0.81 CYP1A2 (0.56) CLK1CLK4CYP1A2CYP3A4CYP2D6

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 CLK1 2890/4885CLK4 957/4885DYRK1A 1601/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CLK1 2890/4885CLK4 957/4885DYRK1A 1601/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CLK1 2973/4885CLK4 960/4885DYRK1A 1513/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CLK1 3567/4885CLK4 1192/4885DYRK1A 1767/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CLK1 3567/4885CLK4 1192/4885DYRK1A 1767/4885

“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.