SCHEMBL9923306

SCHEMBL9923306

N#Cc1cnn2nccc2c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.35
KDM4D Q6B0I6 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ELANE P08246 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KMT2A Q03164 3/20 0.33
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.33
UPP1 Q16831 1/20 0.32
CDK4 P11802 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM5A P29375 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KCNMA1 Q12791 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9923307 0.80 CDK2 (0.34) CDK2KDM4DKDM4EELANEALDH1A1
SCHEMBL9923104 0.76 CDK2 (0.31) CDK2
SCHEMBL14757779 0.76 CDK2 (0.32) CDK2KDM4DKDM4EALDH1A1HPGD
SCHEMBL1160399 0.73 CDK2 (0.49) CDK2KDM4DKDM4EALDH1A1HPGD
SCHEMBL9923350 0.70 CDK2 (0.39) CDK2KDM4DKDM4EALDH1A1HPGD
SCHEMBL9923282 0.69 CDK2 (0.41) CDK2ELANEALDH1A1
SCHEMBL9923417 0.68 MEN1 (0.36) CDK2KMT2AMEN1
SCHEMBL9923437 0.67 KDM4D (0.33) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL23109069 0.66
SCHEMBL12681980 0.66 CDK2 (0.35) CDK2KMT2AMEN1

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-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 CDK2 423/4885KDM4D 1040/4885KDM4E 449/4885

“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.