SCHEMBL9918702

SCHEMBL9918702

NC(=O)N(N=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.38
EPHX1 P07099 3/20 0.32
ADH1A P07327 3/20 0.31
ADH1C P00326 2/20 0.31
ADH4 P08319 1/20 0.30
ADRA2A P08913 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 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
SCHEMBL1238560 0.98 ALOX5 (0.39) ALOX5EPHX1ADH1AADH1CADRA2A
SCHEMBL3711995 0.81 ALDH1A1 (0.35) ALOX5EPHX1ADRA2A
SCHEMBL3711997 0.81 ALDH1A1 (0.35) ALOX5EPHX1ADRA2A
SCHEMBL14791027 0.77 LMNA (0.37) ADH1AADH1CADH4ADRA2APDE4A
SCHEMBL102987 0.76 LMNA (0.36) ADH1AADH1CADRA2APDE4AADRA1A
SCHEMBL14794984 0.74
SCHEMBL14776360 0.74 ADH1C (0.35) ADH1AADH1C
SCHEMBL12506208 0.71 ADRA2A (0.56) EPHX1ADRA2APDE4AADRA1A
SCHEMBL39462 0.71 ADRA2A (0.40) EPHX1ADH1AADH1CADRA2APDE4A
SCHEMBL103331 0.71 RAB9A (0.33) EPHX1ADH1AADH1CADRA2APDE4A

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 5 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALOX5 1447/4885EPHX1 1518/4885ADH1A 3778/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALOX5 1365/4885EPHX1 1492/4885ADH1A 3446/4885

“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.