SCHEMBL1047859

SCHEMBL1047859

O=C(Cc1ccc(C(F)(F)F)cc1)N1C2CCC1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.58
JAK2 O60674 3/20 0.54
JAK1 P23458 2/20 0.54
BTK Q06187 4/20 0.53
KIT P10721 2/20 0.53
AKT1 P31749 2/20 0.51
JAK3 P52333 3/20 0.50
CYP2D6 P10635 1/20 0.45
GRIN2B Q13224 1/20 0.45
ROCK2 O75116 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL10321833 1.00 AKT2 (0.58) AKT2JAK2JAK1BTKKIT
SCHEMBL10277246 0.88 JAK3 (0.52) AKT2JAK2JAK1BTKKIT
SCHEMBL10318604 0.88 JAK3 (0.52) AKT2JAK2JAK1BTKKIT
SCHEMBL12958068 0.88 JAK3 (0.52) AKT2JAK2JAK1BTKKIT
SCHEMBL10277416 0.87 BTK (0.54) AKT2JAK2JAK1BTKKIT
SCHEMBL10316950 0.87 BTK (0.54) AKT2JAK2JAK1BTKKIT
SCHEMBL16144760 0.87 BTK (0.54) AKT2JAK2JAK1BTKKIT
SCHEMBL10316833 0.85 JAK2 (0.56) AKT2JAK2JAK1BTKKIT
SCHEMBL1049144 0.85 JAK2 (0.56) AKT2JAK2JAK1BTKKIT
SCHEMBL12957998 0.85 JAK2 (0.56) AKT2JAK2JAK1BTKKIT

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 AKT2 703/4885JAK2 2/4885JAK1 1/4885

“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.