SCHEMBL3338879

SCHEMBL3338879

Nc1nc(OCCN2CCOCC2)c2cc(-c3cc4ccccc4s3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
LTA4H P09960 1/20 0.43
UBE2N P61088 1/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
TNK2 Q07912 1/20 0.39

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
SCHEMBL3334078 0.84 KMT2A (0.48) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3338187 0.81 MEN1 (0.47) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3336365 0.81 APP (0.43) ADORA2A
SCHEMBL3336925 0.80 CYP1A2 (0.57) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3334174 0.80 ADORA2A (0.54) CD274MEN1KMT2AADORA2AADORA1
SCHEMBL3338145 0.80 ACHE (0.47) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3339832 0.79 HRH1 (0.45) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3337374 0.79 MEN1 (0.47) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3336155 0.78 CYP1A2 (0.54) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3340207 0.77 KIT (0.55) MEN1KMT2AADORA2AALDH1A1LMNA

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 CD274 3803/4885MEN1 2284/4885KMT2A 3824/4885

“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.