SCHEMBL323030

SCHEMBL323030

Cc1ncc(C(C=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
ROCK2 O75116 3/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
KCNH2 Q12809 3/20 0.41
AKT3 Q9Y243 3/20 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
SCHEMBL323629 0.84 JAK3 (0.45) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL324613 0.84 JAK3 (0.53) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL323929 0.84 JAK3 (0.43) JAK3JAK2JAK1TYK2AKT2
SCHEMBL324141 0.83 JAK3 (0.43) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL324666 0.82 JAK3 (0.52) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL323886 0.82 AKT2 (0.51) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL15987941 0.81 JAK3 (0.45) JAK3JAK2JAK1TYK2AKT2
SCHEMBL322722 0.81 AKT1 (0.54) ROCK2AKT1AKT2KCNH2AKT3
SCHEMBL323157 0.81 JAK3 (0.44) JAK3JAK2JAK1TYK2AKT2
SCHEMBL323421 0.81 AKT1 (0.45) JAK3JAK2JAK1TYK2ROCK2

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 3/4885JAK2 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.