SCHEMBL9918653

SCHEMBL9918653

CCOC(=O)c1nnc2[nH]ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.53
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
JAK3 P52333 4/20 0.40
JAK1 P23458 3/20 0.40
ILK Q13418 1/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9918654 0.84 NUDT1 (0.52) NUDT1KDM4EALDH1A1HPGDPOLB
SCHEMBL9918666 0.79 JAK3 (0.38) NUDT1JAK3
SCHEMBL12833213 0.77 EGLN1 (0.38) NUDT1KDM4EJAK3JAK1
SCHEMBL20508782 0.75 NUDT1 (0.55) NUDT1KDM4EALDH1A1HPGDPOLB
SCHEMBL10861354 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDGAAPOLB
SCHEMBL29678449 0.70 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDPOLB
SCHEMBL256760 0.70 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDPOLB
SCHEMBL10861101 0.69 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL6980942 0.69 GABRA1 (0.45) KDM4EALDH1A1POLBKMT2AJAK3
SCHEMBL1241163 0.69 KMT2A (0.43) KDM4EALDH1A1KMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 NUDT1 1060/4885KDM4E 477/4885ALDH1A1 1507/4885

“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.