SCHEMBL3337374

SCHEMBL3337374

Nc1nc(OCCN2CCOCC2)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
KCNH2 Q12809 2/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43

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 0.84 ADORA2A (0.54) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3335832 0.84 MAPK14 (0.47) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3336925 0.84 CYP1A2 (0.57) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3336155 0.83 CYP1A2 (0.54) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3338145 0.82 ACHE (0.47) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3338043 0.81 DYRK1A (0.49) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3334078 0.81 KMT2A (0.48) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3339832 0.80 HRH1 (0.45) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL3340207 0.80 KIT (0.55) MEN1KMT2AADORA2AALDH1A1LMNA
SCHEMBL3338879 0.79 CD274 (0.49) MEN1KMT2AADORA2AADORA1ADORA3

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 MEN1 2284/4885KMT2A 3824/4885ADORA2A 1968/4885

“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.