SCHEMBL3334078

SCHEMBL3334078

Nc1nc(OCCN2CCOCC2)c2cc(-c3cccs3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PRKDC P78527 1/20 0.40
AVPR1B P47901 1/20 0.40

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
SCHEMBL3338879 0.84 CD274 (0.49) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3339832 0.83 HRH1 (0.45) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3338145 0.82 ACHE (0.47) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3334174 0.82 ADORA2A (0.54) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3337374 0.81 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3336155 0.80 CYP1A2 (0.54) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3336925 0.80 CYP1A2 (0.57) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3340207 0.80 KIT (0.55) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3339040 0.79 ALDH1A1 (0.48) KMT2AMEN1LMNAALDH1A1HIF1A
SCHEMBL3331878 0.79 ADORA2A (0.42) KMT2AMEN1LMNAALDH1A1ADORA2A

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 6 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
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 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 KMT2A 3824/4885MEN1 2284/4885LMNA 1130/4885

“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.