SCHEMBL10316833

SCHEMBL10316833

O=C(c1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@H]1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.56
JAK1 P23458 4/20 0.56
KIT P10721 4/20 0.56
AKT2 P31751 2/20 0.54
BTK Q06187 4/20 0.54
AKT1 P31749 1/20 0.51
JAK3 P52333 3/20 0.50
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BMX P51813 1/20 0.47
ITK Q08881 1/20 0.47
PAK1 Q13153 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL1049144 1.00 JAK2 (0.56) JAK2JAK1KITAKT2BTK
SCHEMBL12957998 1.00 JAK2 (0.56) JAK2JAK1KITAKT2BTK
SCHEMBL1049106 0.88 KIT (0.53) JAK2JAK1KITAKT2JAK3
SCHEMBL1050058 0.88 KIT (0.55) JAK2JAK1KITAKT2JAK3
SCHEMBL10320018 0.88 KIT (0.55) JAK2JAK1KITAKT2JAK3
SCHEMBL10321504 0.88 KIT (0.53) JAK2JAK1KITAKT2JAK3
SCHEMBL1050199 0.87 KIT (0.58) JAK2JAK1KITAKT2BTK
SCHEMBL10319616 0.87 KIT (0.58) JAK2JAK1KITAKT2BTK
SCHEMBL10321016 0.86 KIT (0.65) JAK2KITAKT2BTKJAK3
SCHEMBL1047833 0.86 KIT (0.65) JAK2KITAKT2BTKJAK3

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 4 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 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-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

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 JAK2 2/4885JAK1 1/4885KIT 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.