SCHEMBL4356747

SCHEMBL4356747

CC(C)CCNc1ncnc2ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 11/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 14/20 0.43
CYP3A4 P08684 12/20 0.43
CLK4 Q9HAZ1 12/20 0.43
CYP2D6 P10635 11/20 0.43
HSD17B10 Q99714 9/20 0.43
CYP2C19 P33261 9/20 0.43
TSHR P16473 7/20 0.43
MAPK1 P28482 5/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 3/20 0.43
HIF1A Q16665 4/20 0.41
CD38 P28907 2/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4354815 0.85 CYP1A2 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4351224 0.76 CYP1A2 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4357306 0.75 CYP1A2 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL18041186 0.75 CYP1A2 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4360637 0.74 MAP4K4 (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4358296 0.74 CYP1A2 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4349565 0.74 CYP1A2 (0.54) ALDH1A1CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL4356994 0.73 PIK3CD (0.56) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL4358190 0.73 HTT (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4357016 0.73 MAP4K4 (0.50) ALDH1A1CYP1A2CYP3A4CLK4CYP2D6

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 NPSR1 44/4885ATM 4668/4885ALDH1A1 2743/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 NPSR1 44/4885ATM 4668/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 NPSR1 30/4885ATM 4616/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 NPSR1 33/4885ATM 4639/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 NPSR1 33/4885ATM 4639/4885ALDH1A1 3119/4885

“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.