SCHEMBL1078746

SCHEMBL1078746

O=C(c1cccc2[nH]ccc12)N1CC2CC1CN2c1ncnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
JAK3 P52333 15/20 0.43
JAK1 P23458 3/20 0.43
KIT P10721 1/20 0.42
BTK Q06187 1/20 0.42
CHRNA7 P36544 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL1050771 0.85 JAK3 (0.45) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL10321107 0.85 KIT (0.57) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1046469 0.85 KIT (0.57) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL16144766 0.85 KIT (0.57) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1048804 0.82 JAK3 (0.45) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1050159 0.82 HCRTR1 (0.46) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1047943 0.82 JAK1 (0.43) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1078709 0.82 KIT (0.41) HCRTR1HCRTR2JAK3JAK1KIT
SCHEMBL1050634 0.82 KIT (0.48) JAK3JAK1KIT
SCHEMBL12959142 0.82 KIT (0.46) JAK3JAK1KIT

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
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
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 HCRTR1 825/4885HCRTR2 1569/4885JAK3 3/4885

“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.