SCHEMBL9918754

SCHEMBL9918754

COC(=O)c1cc(C(N)=O)c[nH]1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.65
BAZ2A Q9UIF9 1/20 0.65
ALDH1A1 P00352 7/20 0.59
GAA P10253 3/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CDC7 O00311 1/20 0.40
BRD4 O60885 1/20 0.40
POLB P06746 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 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
SCHEMBL70354 0.86 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL1664710 0.83 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL4544324 0.83 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL13560864 0.81 BAZ2B (0.59) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL9197119 0.80 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL11898897 0.80 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL3641818 0.80 HTT (0.59) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL25815377 0.79 BAZ2B (1.00) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL2661552 0.79 ALDH1A1 (0.69) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL5693480 0.79 ALDH1A1 (0.46) BAZ2BBAZ2AALDH1A1GAAKMT2A

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 3 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
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 BAZ2B 947/4885BAZ2A 1031/4885ALDH1A1 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.