SCHEMBL9921810

SCHEMBL9921810

Cc1noc(C2Oc3c(C)cccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
HSD11B1 P28845 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9918336 0.82 OGA (0.31)
SCHEMBL9921637 0.67 GAA (0.37) BRD4L3MBTL1
SCHEMBL14416706 0.64 BRD4 (0.39) BRD4CREBBP
SCHEMBL10079814 0.63 BRD4 (0.34) BRD4CREBBPL3MBTL1
SCHEMBL8222336 0.61 HSD11B1 (0.40) CHRM2HSD11B1
SCHEMBL14934302 0.61 BRD4 (0.37) BRD4CREBBP
SCHEMBL16481966 0.61 PDK2 (0.47) L3MBTL1
SCHEMBL6370251 0.60 PRCP (0.52) HSD11B1
SCHEMBL2307422 0.58
SCHEMBL18469576 0.57 BRD4 (0.33) BRD4CREBBP

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
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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 (3 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 CHRM2 4844/4885HSD11B1 1810/4885BRD4 443/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CHRM2 4870/4885HSD11B1 1608/4885BRD4 402/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CHRM2 4865/4885HSD11B1 1216/4885BRD4 402/4885

“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.