SCHEMBL4355316

SCHEMBL4355316

COc1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.83
CYP3A4 P08684 11/20 0.74
CLK4 Q9HAZ1 10/20 0.74
HIF1A Q16665 10/20 0.74
CYP1A2 P05177 10/20 0.74
LMNA P02545 9/20 0.74
ALDH1A1 P00352 9/20 0.74
MAPK1 P28482 8/20 0.74
CYP2C19 P33261 8/20 0.74
TSHR P16473 6/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
TP53 P04637 2/20 0.74
CYP2D6 P10635 5/20 0.72
USP2 O75604 4/20 0.72
PDE10A Q9Y233 1/20 0.71
HSD17B10 Q99714 2/20 0.60
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4363770 0.88 GAK (0.64) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4360621 0.87 CYP3A4 (0.73) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4359543 0.85 ACHE (0.75) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4357963 0.82 ACHE (0.73) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL182583 0.82 GAK (0.60) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4357596 0.81 GAK (0.59) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4931410 0.81 MAPT (0.66) GAKCYP3A4CLK4CYP1A2LMNA
SCHEMBL4357245 0.80 CLK4 (0.70) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4351394 0.80 CYP3A4 (0.70) GAKCYP3A4CLK4HIF1ACYP1A2
SCHEMBL4121396 0.80 CLK4 (0.73) GAKCYP3A4CLK4HIF1ACYP1A2

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
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

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 GAK 3023/4885CYP3A4 256/4885CLK4 957/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 GAK 2801/4885CYP3A4 274/4885CLK4 960/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 GAK 3125/4885CYP3A4 271/4885CLK4 1192/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 GAK 3125/4885CYP3A4 271/4885CLK4 1192/4885

“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.