SCHEMBL4357533

SCHEMBL4357533

C1COCO1.CCOc1ccccc1-c1ccc2nc(N)nc(NN)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.55
ABL1 P00519 4/20 0.42
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 6/20 0.41
USP2 O75604 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
PTPRC P08575 1/20 0.41
PDE10A Q9Y233 3/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
CYP2C9 P11712 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4349982 0.87 DHFR (0.50) DHFRABL1CYP1A2CYP3A4CYP2D6
SCHEMBL4353585 0.81 DHFR (0.52) DHFRABL1CYP1A2CYP3A4CYP2D6
SCHEMBL4359113 0.80 CYP1A2 (0.49) DHFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4358787 0.79 DHFR (0.54) DHFR
SCHEMBL18041208 0.79 ALOX5AP (0.53) DHFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4355244 0.77 DHFR (0.45) DHFR
SCHEMBL4356099 0.77 DHFR (0.45) DHFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4358499 0.77 ALDH1A1 (0.56) DHFRCYP3A4LMNAALDH1A1TSHR
SCHEMBL4353795 0.76 DHFR (0.56) DHFRALDH1A1
SCHEMBL4355216 0.75 CYP1A2 (0.45) DHFRCYP1A2CYP2D6LMNAHSD17B10

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 DHFR 1809/4885ABL1 880/4885CYP1A2 1131/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 DHFR 1809/4885ABL1 880/4885CYP1A2 1131/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 DHFR 1707/4885ABL1 887/4885CYP1A2 1129/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 DHFR 1462/4885ABL1 1018/4885CYP1A2 1078/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 DHFR 1462/4885ABL1 1018/4885CYP1A2 1078/4885

“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.