SCHEMBL4367553

SCHEMBL4367553

CC(C)CCNc1ncnc2ccc(-c3ccc(N4CCNCC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.47
CYP3A4 P08684 17/20 0.47
CYP2D6 P10635 11/20 0.47
CYP2C19 P33261 7/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
CLK4 Q9HAZ1 14/20 0.46
USP2 O75604 11/20 0.46
ALDH1A1 P00352 9/20 0.46
HSD17B10 Q99714 8/20 0.46
MAP4K4 O95819 1/20 0.45
MAPK1 P28482 2/20 0.44
CLK1 P49759 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4359058 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4355203 0.88 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4353350 0.87 TLR9 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4362798 0.87 TLR9 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4367550 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4353593 0.84 CDK1 (0.51) CYP1A2CYP3A4KDM4EHPGDCLK4
SCHEMBL4355900 0.80 MAP4K4 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4361135 0.79 MAP4K4 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL4360601 0.79 MAP4K4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL31003507 0.79 MAP4K4 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E

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 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.