SCHEMBL1051111

SCHEMBL1051111

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.54
GSK3B P49841 2/20 0.54
KIT P10721 2/20 0.54
JAK3 P52333 9/20 0.54
LCK P06239 1/20 0.53
DOT1L Q8TEK3 2/20 0.53
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
HTR2C P28335 1/20 0.50
BTK Q06187 2/20 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
SCHEMBL12958977 0.89 AKT2 (0.55) AKT2GSK3BKITJAK3LCK
SCHEMBL12958787 0.86 AKT2 (0.56) AKT2GSK3BKITJAK3LCK
SCHEMBL10316974 0.85 JAK3 (0.57) AKT2GSK3BKITJAK3LCK
SCHEMBL10277716 0.85 JAK3 (0.57) AKT2GSK3BKITJAK3LCK
SCHEMBL12958978 0.85 JAK3 (0.57) AKT2GSK3BKITJAK3LCK
SCHEMBL1051115 0.84 AKT2 (0.55) AKT2GSK3BKITJAK3LCK
SCHEMBL1047833 0.84 KIT (0.65) AKT2GSK3BKITJAK3LCK
SCHEMBL10317041 0.84 KIT (0.65) AKT2GSK3BKITJAK3LCK
SCHEMBL12958788 0.84 KIT (0.65) AKT2GSK3BKITJAK3LCK
SCHEMBL10321016 0.84 KIT (0.65) AKT2GSK3BKITJAK3LCK

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 9 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
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 AKT2 703/4885GSK3B 842/4885KIT 327/4885

“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.