SCHEMBL4356099

SCHEMBL4356099

N#CCCOc1ccccc1-c1ccc2nc(N)nc(NN)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.45
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
CYP1A2 P05177 10/20 0.39
CYP3A4 P08684 10/20 0.39
CYP2D6 P10635 9/20 0.39
CYP2C19 P33261 9/20 0.39
CLK4 Q9HAZ1 9/20 0.39
ALDH1A1 P00352 8/20 0.39
LMNA P02545 8/20 0.39
TSHR P16473 7/20 0.39
HSD17B10 Q99714 7/20 0.39
USP2 O75604 7/20 0.39
MAPK1 P28482 6/20 0.39
CYP2C9 P11712 5/20 0.39
HIF1A Q16665 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL18041208 0.89 ALOX5AP (0.53) DHFRALOX5APFEN1CYP1A2CYP3A4
SCHEMBL4353339 0.86 CYP1A2 (0.45) DHFRALOX5APFEN1CYP1A2CYP3A4
SCHEMBL4353800 0.84 EGFR (0.51) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4359113 0.83 CYP1A2 (0.49) DHFRFEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4353610 0.83 GAA (0.39) DHFRCYP1A2CYP3A4CYP2D6CLK4
SCHEMBL4357124 0.82 MAP4K4 (0.40) DHFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4353797 0.80 DHFR (0.42) DHFRALOX5APFEN1CYP1A2CYP3A4
SCHEMBL4356094 0.79 DHFR (0.42) DHFRALOX5APFEN1CYP1A2CYP3A4
SCHEMBL4354963 0.78 CYP1A2 (0.55) DHFRALOX5APFEN1CYP1A2CYP3A4
SCHEMBL4357533 0.77 DHFR (0.55) DHFRCYP1A2CYP3A4CYP2D6CYP2C19

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 11 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-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-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 (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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 DHFR 1809/4885ALOX5AP 1557/4885FEN1 4447/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 DHFR 1809/4885ALOX5AP 1557/4885FEN1 4447/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 DHFR 1707/4885ALOX5AP 1851/4885FEN1 4349/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 DHFR 1462/4885ALOX5AP 1805/4885FEN1 4261/4885

“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.