SCHEMBL4354976

SCHEMBL4354976

CC(C)CCNc1ncnc2ccc(-c3ccccc3N(C)C)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.54
CYP3A4 P08684 19/20 0.54
CYP2D6 P10635 18/20 0.54
CLK4 Q9HAZ1 14/20 0.53
CYP2C19 P33261 14/20 0.53
ALDH1A1 P00352 12/20 0.53
HSD17B10 Q99714 11/20 0.53
TSHR P16473 11/20 0.53
MAPK1 P28482 8/20 0.53
ALOX15 P16050 3/20 0.53
LMNA P02545 3/20 0.53
USP2 O75604 7/20 0.51
HIF1A Q16665 5/20 0.51
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RAF1 P04049 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL4363840 0.83 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4349565 0.83 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4355900 0.83 MAP4K4 (0.60) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4351900 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4355148 0.82 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4362153 0.81 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4362120 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4355273 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4353940 0.80 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL4356853 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CLK4CYP2C19

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 8 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
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 CYP1A2 1131/4885CYP3A4 256/4885CYP2D6 807/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP1A2 1131/4885CYP3A4 256/4885CYP2D6 807/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 CYP1A2 1129/4885CYP3A4 274/4885CYP2D6 847/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885CYP3A4 271/4885CYP2D6 810/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CYP1A2 1078/4885CYP3A4 271/4885CYP2D6 810/4885

“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.