SCHEMBL323138

SCHEMBL323138

c1ccc(CN2CCN(c3ncnc4[nH]ccc34)CCC23CC3)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.76
AKT2 P31751 16/20 0.57
GSK3B P49841 4/20 0.55
AKT1 P31749 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2D6 P10635 1/20 0.55
RPS6KB1 P23443 1/20 0.55
KIT P10721 1/20 0.53
ROCK2 O75116 2/20 0.52
KCNH2 Q12809 2/20 0.52
AKT3 Q9Y243 2/20 0.52

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
SCHEMBL1048640 0.91 JAK3 (0.83) JAK3AKT2GSK3BAKT1CYP2C9
SCHEMBL21538581 0.89 JAK3 (0.90) JAK3AKT2GSK3BAKT1CYP2C9
SCHEMBL10206821 0.86 JAK3 (1.00) JAK3
SCHEMBL318828 0.85 JAK3 (0.86) JAK3
SCHEMBL21518338 0.78 JAK3 (0.66) JAK3AKT2GSK3BAKT1CYP2C9
SCHEMBL322327 0.77 JAK3 (0.63) JAK3AKT2GSK3BAKT1CYP2C9
SCHEMBL21538588 0.77 JAK3 (0.62) JAK3AKT2GSK3BAKT1CYP2C9
SCHEMBL1789204 0.76 RPS6KB1 (0.72) JAK3AKT2GSK3BAKT1RPS6KB1
SCHEMBL10277321 0.75 JAK3 (0.63) JAK3
SCHEMBL2298040 0.75 JAK3 (0.60) JAK3AKT2GSK3BAKT1KIT

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 10 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 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
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
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 3/4885AKT2 713/4885GSK3B 1140/4885

“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.