SCHEMBL323632

SCHEMBL323632

O=CC(c1ccc(Cl)cc1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.52
AKT1 P31749 9/20 0.51
AKT2 P31751 8/20 0.50
ROCK2 O75116 6/20 0.50
AKT3 Q9Y243 6/20 0.50
KCNH2 Q12809 4/20 0.50
GSK3B P49841 2/20 0.50
LCK P06239 1/20 0.49

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
SCHEMBL323133 0.91 JAK3 (0.52) JAK3AKT1AKT2ROCK2AKT3
SCHEMBL323751 0.86 JAK3 (0.51) JAK3AKT2LCK
SCHEMBL1048032 0.84 JAK3 (0.48) JAK3LCK
SCHEMBL1049059 0.82 ROCK2 (0.55) JAK3AKT1AKT2ROCK2AKT3
SCHEMBL322722 0.81 AKT1 (0.54) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL323566 0.81 JAK3 (0.51) JAK3LCK
SCHEMBL322984 0.80 JAK3 (0.51) JAK3LCK
SCHEMBL323137 0.80 JAK3 (0.54) JAK3LCK
SCHEMBL1046963 0.79 ROCK2 (0.53) JAK3AKT1AKT2ROCK2AKT3
SCHEMBL324087 0.77 JAK3 (0.69) JAK3LCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP claimed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO claimed
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 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-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK3 3/4885AKT1 474/4885AKT2 713/4885

“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.