SCHEMBL3336155

SCHEMBL3336155

Nc1nc(OCCN2CCOCC2)c2cc(-c3ccoc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CLK4 Q9HAZ1 3/20 0.54
USP2 O75604 3/20 0.54
CYP2D6 P10635 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HIF1A Q16665 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 3/20 0.46
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH1 P35367 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3334174 0.86 ADORA2A (0.54) ALDH1A1HIF1ALMNAACHEBCHE
SCHEMBL3338145 0.86 ACHE (0.47) ALDH1A1HIF1ALMNAACHEBCHE
SCHEMBL3340207 0.83 KIT (0.55) CYP3A4ALDH1A1CYP2D6HSD17B10HIF1A
SCHEMBL3339832 0.83 HRH1 (0.45) ALDH1A1HIF1ALMNAACHEBCHE
SCHEMBL3337374 0.83 MEN1 (0.47) CYP1A2CYP3A4ALDH1A1CLK4USP2
SCHEMBL3339040 0.81 ALDH1A1 (0.48) ALDH1A1HIF1AMAPK1LMNAACHE
SCHEMBL3334078 0.80 KMT2A (0.48) ALDH1A1HIF1ALMNAACHEBCHE
SCHEMBL3335832 0.80 MAPK14 (0.47) CYP1A2CYP3A4ALDH1A1CLK4USP2
SCHEMBL3339873 0.79 MOK (0.50) HTR1AHTR1DHTR1B
SCHEMBL3338187 0.79 MEN1 (0.47) ALDH1A1HIF1ALMNAACHEBCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US 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 (1 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 CYP1A2 231/4885CYP3A4 41/4885ALDH1A1 2902/4885

“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.