SCHEMBL1045812

SCHEMBL1045812

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.50
BTK Q06187 2/20 0.50
LCK P06239 1/20 0.49
AKT2 P31751 2/20 0.48
GSK3B P49841 2/20 0.48
KIT P10721 1/20 0.47
DOT1L Q8TEK3 2/20 0.47
JAK2 O60674 4/20 0.46
JAK1 P23458 1/20 0.45
HTR2C P28335 1/20 0.44

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
SCHEMBL10316976 1.00 JAK3 (0.50) JAK3BTKLCKAKT2GSK3B
SCHEMBL10316846 0.82 JAK3 (0.55) JAK3BTKAKT2GSK3BKIT
SCHEMBL1045783 0.82 JAK3 (0.55) JAK3BTKAKT2GSK3BKIT
SCHEMBL1051115 0.82 AKT2 (0.55) JAK3BTKLCKAKT2GSK3B
SCHEMBL10317242 0.82 JAK3 (0.47) JAK3BTKLCKAKT2GSK3B
SCHEMBL1077163 0.82 JAK3 (0.47) JAK3BTKLCKAKT2GSK3B
SCHEMBL16144755 0.80 BTK (0.49) JAK3BTKLCKAKT2GSK3B
SCHEMBL10316974 0.78 JAK3 (0.57) JAK3LCKAKT2GSK3BKIT
SCHEMBL12958978 0.78 JAK3 (0.57) JAK3LCKAKT2GSK3BKIT
SCHEMBL10277716 0.78 JAK3 (0.57) JAK3LCKAKT2GSK3BKIT

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 JAK3 3/4885BTK 39/4885LCK 22/4885

“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.