SCHEMBL323112

SCHEMBL323112

O=C(c1ccccc1Cl)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.57
JAK3 P52333 2/20 0.55
AKT1 P31749 8/20 0.52
AKT2 P31751 9/20 0.51
RPS6KB1 P23443 1/20 0.50
ROCK2 O75116 2/20 0.48
KCNH2 Q12809 2/20 0.48
AKT3 Q9Y243 2/20 0.48
CYP2C9 P11712 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL319119 0.89 KIT (0.57) KITJAK3AKT1AKT2ROCK2
SCHEMBL323782 0.89 KIT (0.57) KITJAK3AKT1AKT2
SCHEMBL322860 0.86 JAK3 (0.62) KITJAK3
SCHEMBL324465 0.85 KIT (0.62) KITJAK3AKT1AKT2RPS6KB1
SCHEMBL323184 0.85 JAK3 (0.54) KITJAK3AKT1AKT2ROCK2
SCHEMBL323281 0.84 JAK3 (0.60) KITJAK3AKT1AKT2RPS6KB1
SCHEMBL15988101 0.84 AKT2 (0.51) KITJAK3AKT1AKT2RPS6KB1
SCHEMBL323179 0.84 KIT (0.61) KITJAK3AKT1AKT2RPS6KB1
SCHEMBL323700 0.84 KIT (0.58) KITJAK3AKT1AKT2ROCK2
SCHEMBL323866 0.83 JAK3 (0.51) KITJAK3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US claimed
EP-2590981-B1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2014-09-03 EP claimed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US claimed
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-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
EP-2590981-B1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2014-09-03 EP 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
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
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 KIT 840/4885JAK3 3/4885AKT1 474/4885

“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.