SCHEMBL1079252

SCHEMBL1079252

O=C(c1cccc(OC(F)(F)F)c1)N1CCN(c2ccnc3[nH]ccc23)CC12CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.46
AKT2 P31751 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
MGLL Q99685 1/20 0.41
GOT1 P17174 1/20 0.39
SLC6A7 Q99884 1/20 0.39
MAP3K7 O43318 2/20 0.39
KIT P10721 1/20 0.39
MAP4K2 Q12851 1/20 0.39
MAPK14 Q16539 1/20 0.39
BTK Q06187 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PBK Q96KB5 1/20 0.37
BRAF P15056 1/20 0.37
AKT1 P31749 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL1079828 0.90 KIT (0.45) JAK3AKT2MGLLGOT1KIT
SCHEMBL1049441 0.87 JAK3 (0.62) JAK3AKT2JAK2KITBTK
SCHEMBL12958071 0.85 JAK3 (0.49) JAK3AKT2MAP3K7KITPBK
SCHEMBL1077777 0.84 KIT (0.48) JAK3AKT2KITPBKAKT1
SCHEMBL1078231 0.84 JAK3 (0.65) JAK3JAK2JAK1PBK
SCHEMBL1077775 0.81 JAK2 (0.45) JAK3AKT2JAK2JAK1KIT
SCHEMBL1079239 0.80 JAK3 (0.47) JAK3AKT2JAK2JAK1KIT
SCHEMBL12958814 0.78 AKT2 (0.49) JAK3AKT2JAK2PBKAKT1
SCHEMBL1079163 0.78 JAK3 (0.63) JAK3AKT2JAK2JAK1PBK
SCHEMBL1079537 0.77 NUDT1 (0.45) JAK3AKT2JAK2PBKAKT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
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
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
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US 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 3/4885AKT2 703/4885JAK2 2/4885

“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.