SCHEMBL1046808

SCHEMBL1046808

O=C(c1cccc(OC(F)(F)F)c1)N1C2CCC1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.56
AKT2 P31751 4/20 0.54
KIT P10721 3/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
ROCK2 O75116 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
JAK3 P52333 2/20 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
SCHEMBL10320291 1.00 BTK (0.56) BTKAKT2KITJAK2JAK1
SCHEMBL10319616 0.89 KIT (0.58) BTKAKT2KITJAK2JAK1
SCHEMBL1050199 0.89 KIT (0.58) BTKAKT2KITJAK2JAK1
SCHEMBL10320961 0.85 JAK3 (0.49) BTKKITJAK2JAK1JAK3
SCHEMBL1050120 0.85 JAK3 (0.49) BTKKITJAK2JAK1JAK3
SCHEMBL10319038 0.83 KIT (0.56) BTKAKT2KITJAK3
SCHEMBL1047335 0.83 KIT (0.56) BTKAKT2KITJAK3
SCHEMBL1047833 0.83 KIT (0.65) BTKAKT2KITJAK2JAK3
SCHEMBL10321016 0.83 KIT (0.65) BTKAKT2KITJAK2JAK3
SCHEMBL12958788 0.83 KIT (0.65) BTKAKT2KITJAK2JAK3

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 7 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
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 BTK 39/4885AKT2 703/4885KIT 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.