SCHEMBL4355227

SCHEMBL4355227

COc1ccc(-c2ccc3ncnc(NC4CCCCC4)c3c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.67
CYP2C19 P33261 6/20 0.67
USP2 O75604 6/20 0.67
CLK4 Q9HAZ1 6/20 0.67
CYP3A4 P08684 6/20 0.67
LMNA P02545 5/20 0.67
CYP2D6 P10635 5/20 0.67
TSHR P16473 3/20 0.67
MAPK1 P28482 4/20 0.64
ALDH1A1 P00352 3/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 4/20 0.61
CD38 P28907 3/20 0.59
MAP4K4 O95819 2/20 0.58
KDM4E B2RXH2 1/20 0.58
IRAK4 Q9NWZ3 7/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4358578 0.99 CYP1A2 (0.68) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL4355305 0.94 CYP1A2 (0.74) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL7714365 0.84 IRAK4 (0.73) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL21318719 0.82 IRAK4 (0.78) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL4357475 0.82 CCR4 (0.55) CYP1A2CYP2C19CYP3A4LMNACYP2D6
SCHEMBL21318720 0.81 IRAK4 (0.71) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL21318716 0.81 IRAK4 (0.79) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL4358072 0.81 CD38 (0.64) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL4351313 0.81 MAP4K4 (0.74) CYP1A2CYP2C19USP2CLK4CYP3A4
SCHEMBL4362827 0.81 NSD2 (0.54) CYP1A2CYP2C19USP2CLK4CYP3A4

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 7 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-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

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 CYP1A2 1131/4885CYP2C19 1528/4885USP2 4093/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP1A2 1131/4885CYP2C19 1528/4885USP2 4093/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP1A2 1129/4885CYP2C19 1384/4885USP2 3783/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885CYP2C19 1636/4885USP2 3955/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885CYP2C19 1636/4885USP2 3955/4885

“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.