SCHEMBL327018

SCHEMBL327018

NS(=O)(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ncnc5[nH]ccc45)CC4(CC4)C3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.49
JAK2 O60674 5/20 0.48
JAK1 P23458 5/20 0.48
TYK2 P29597 4/20 0.48
KIT P10721 2/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
AKT1 P31749 4/20 0.43
ENPP1 P22413 1/20 0.42
LCK P06239 1/20 0.42
ROCK2 O75116 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL1079361 0.88 JAK3 (0.50) JAK3JAK2JAK1TYK2LCK
SCHEMBL323196 0.85 KIT (0.58) JAK3JAK2JAK1TYK2KIT
SCHEMBL327142 0.85 JAK3 (0.56) JAK3JAK2JAK1TYK2
SCHEMBL323147 0.84 JAK3 (0.50) JAK3JAK2JAK1TYK2KIT
SCHEMBL323477 0.84 KIT (0.57) JAK3JAK2JAK1TYK2KIT
SCHEMBL323725 0.82 JAK3 (0.51) JAK3JAK2JAK1TYK2KIT
SCHEMBL322965 0.82 JAK3 (0.48) JAK3JAK2JAK1TYK2KIT
SCHEMBL323130 0.81 JAK3 (0.50) JAK3JAK2JAK1TYK2KIT
SCHEMBL1080417 0.81 JAK3 (0.51) JAK3AKT1LCKROCK2AKT2
SCHEMBL324516 0.80 JAK3 (0.59) JAK3JAK2JAK1TYK2KIT

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 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.