SCHEMBL3225296

SCHEMBL3225296

O=c1[nH]c(=O)c2nc(-c3ccccc3)cnc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ALDH1A1 P00352 3/20 0.74
GAA P10253 2/20 0.74
RUNX1 Q01196 1/20 0.74
CBFB Q13951 1/20 0.74
NOS1 P29475 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RPS6KA3 P51812 2/20 0.57
LIG1 P18858 1/20 0.53
ADORA2A P29274 3/20 0.53
BLM P54132 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADORA2B P29275 2/20 0.53
CYP1A2 P05177 2/20 0.53
PABPC1 P11940 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
CASP7 P55210 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL10983379 0.88 KDM4E (0.74) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL2209868 0.83 ADORA3 (0.57) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL3444582 0.76 NOS1 (0.62) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL10979871 0.76 PIK3CG (0.68) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL8836341 0.73 POLB (0.51) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL3444579 0.73 NOS1 (1.00) KDM4ENOS1RAB9AHSD17B10PIK3CG
SCHEMBL11125582 0.71 KDM4E (0.53) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL31350659 0.71 FEN1 (0.56) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7833902 0.71 KDM4E (0.55) KDM4EALDH1A1GAARUNX1CBFB
SCHEMBL6192079 0.71 NOS1 (0.52) KDM4EALDH1A1GAARUNX1CBFB

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
WO-2010021897-A1 NUCLEOSIDIC PHOSPHORAMIDITE CRYSTALLINE MATERIAL AND A PROCESS FOR PURIFYING THE SAME MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO disclosed
US-7057062-B2 Process for manufacturing purified phosphorodiamidite ISIS PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1492800-A2 PROCESS FOR MANUFACTURING PURIFIED PHOSPHORODIAMIDITE ISIS PHARMACEUTICALS, INC. (US) 2005-01-05 EP disclosed
US-20030225284-A1 Process for manufacturing purified phosphorodiamidite IONIS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087130-A2 PROCESS FOR MANUFACTURING PURIFIED PHOSPHORODIAMIDITE ISIS PHARMACEUTICALS, INC. (US) 2003-10-23 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-20030225284-A1 Process for manufacturing purified phosphorodiamidite PHOSPHO1, PNP, OSGEP KDM4E 3888/4885ALDH1A1 4819/4885GAA 2709/4885

“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.