SCHEMBL1047833

SCHEMBL1047833

O=C(c1ccccc1)N1C2CCC1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.65
BTK Q06187 11/20 0.54
AKT2 P31751 3/20 0.53
JAK3 P52333 1/20 0.50
GSK3B P49841 1/20 0.50
DOT1L Q8TEK3 1/20 0.49
LCK P06239 1/20 0.49
JAK2 O60674 1/20 0.48

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
SCHEMBL10321016 1.00 KIT (0.65) KITBTKAKT2JAK3GSK3B
SCHEMBL12958788 1.00 KIT (0.65) KITBTKAKT2JAK3GSK3B
SCHEMBL10317041 1.00 KIT (0.65) KITBTKAKT2JAK3GSK3B
SCHEMBL16106030 0.92 KIT (0.57) KITBTKAKT2JAK3GSK3B
SCHEMBL10319038 0.92 KIT (0.56) KITBTKAKT2JAK3
SCHEMBL1047335 0.92 KIT (0.56) KITBTKAKT2JAK3
SCHEMBL10320018 0.90 KIT (0.55) KITAKT2JAK3GSK3BDOT1L
SCHEMBL10321504 0.90 KIT (0.53) KITAKT2JAK3GSK3BDOT1L
SCHEMBL1050058 0.90 KIT (0.55) KITAKT2JAK3GSK3BDOT1L
SCHEMBL1049106 0.90 KIT (0.53) KITAKT2JAK3GSK3BDOT1L

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-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US claimed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP claimed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US claimed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP claimed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO claimed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 KIT 327/4885BTK 39/4885AKT2 703/4885

“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.