SCHEMBL9918705

SCHEMBL9918705

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
XDH P47989 3/20 0.41
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
ULK1 O75385 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9918751 0.88 CYP1A2 (0.42) CYP1A2XDHGAASMN1; SMN2KDM4E
SCHEMBL12684544 0.80 XDH (0.38) CYP1A2XDHGAASMN1; SMN2KDM4E
SCHEMBL2059661 0.79 XDH (0.47) CYP1A2XDHGAASMN1; SMN2KDM4E
SCHEMBL9918707 0.77 CA12 (0.35) ALDH1A1MAPK1
SCHEMBL9918793 0.73 MAPK1 (0.35) CYP1A2SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL1504430 0.73 CYP1A2 (0.47) CYP1A2XDHGAAKDM4EGLA
SCHEMBL13694228 0.71 ALDH1A1 (0.42) CYP1A2XDHSMN1; SMN2KDM4EMEN1
SCHEMBL3545739 0.71 MAPK14 (0.39) GAASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15679695 0.69 XDH (0.45) XDHGAASMN1; SMN2KDM4EGLA
SCHEMBL8102402 0.67 KDM4E (0.50) CYP1A2XDHGAASMN1; SMN2KDM4E

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 CYP1A2 1299/4885XDH 1671/4885GAA 3039/4885

“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.