SCHEMBL4356855

SCHEMBL4356855

CC(C)CCNc1ncnc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.52
RAF1 P04049 2/20 0.52
CD38 P28907 1/20 0.48
MAP4K4 O95819 2/20 0.48
CYP1A2 P05177 11/20 0.47
ALDH1A1 P00352 10/20 0.47
CLK4 Q9HAZ1 9/20 0.47
CYP3A4 P08684 8/20 0.47
USP2 O75604 6/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 4/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 8/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 2/20 0.46
CLK1 P49759 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL4355900 0.83 MAP4K4 (0.60) BRAFRAF1MAP4K4CYP1A2ALDH1A1
SCHEMBL4355553 0.83 CYP1A2 (0.61) BRAFRAF1CD38CYP1A2ALDH1A1
SCHEMBL4356853 0.83 CYP1A2 (0.51) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4357940 0.83 KIT (0.48) BRAFRAF1MAP4K4CYP1A2ALDH1A1
SCHEMBL4361135 0.82 MAP4K4 (0.62) BRAFRAF1MAP4K4CYP1A2ALDH1A1
SCHEMBL31003507 0.82 MAP4K4 (0.53) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4360601 0.82 MAP4K4 (0.56) RAF1CD38MAP4K4CYP1A2ALDH1A1
SCHEMBL4351915 0.82 MAP4K4 (0.53) MAP4K4CYP1A2ALDH1A1CLK4CYP3A4
SCHEMBL4359000 0.82 MAP4K4 (0.56) RAF1MAP4K4CYP1A2ALDH1A1CLK4
SCHEMBL4353222 0.82 CYP1A2 (0.56) CD38MAP4K4CYP1A2ALDH1A1CLK4

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 7 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-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 (3 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-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 BRAF 4496/4885RAF1 3230/4885CD38 752/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 BRAF 4460/4885RAF1 3412/4885CD38 693/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 BRAF 4460/4885RAF1 3412/4885CD38 693/4885

“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.