SCHEMBL10320147

SCHEMBL10320147

N#Cc1ccccc1C(=O)N1[C@@H]2CC[C@@H]1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.51
JAK2 O60674 11/20 0.49
JAK1 P23458 6/20 0.49
KIT P10721 1/20 0.48
TYK2 P29597 2/20 0.46
LCK P06239 1/20 0.46
STAT3 P40763 1/20 0.46
DOT1L Q8TEK3 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
SCHEMBL1049399 1.00 JAK3 (0.51) JAK3JAK2JAK1KITTYK2
SCHEMBL10321104 0.84 JAK1 (0.54) JAK3JAK2JAK1TYK2LCK
SCHEMBL1049446 0.84 JAK1 (0.54) JAK3JAK2JAK1TYK2LCK
SCHEMBL10321834 0.83 BTK (0.48) JAK3JAK2JAK1KITLCK
SCHEMBL1079001 0.83 BTK (0.48) JAK3JAK2JAK1KITLCK
SCHEMBL10321016 0.83 KIT (0.65) JAK3JAK2KITLCKDOT1L
SCHEMBL12958788 0.83 KIT (0.65) JAK3JAK2KITLCKDOT1L
SCHEMBL10317041 0.83 KIT (0.65) JAK3JAK2KITLCKDOT1L
SCHEMBL1047833 0.83 KIT (0.65) JAK3JAK2KITLCKDOT1L
SCHEMBL1048943 0.82 JAK3 (0.61) JAK3JAK2JAK1TYK2

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 2 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-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 JAK3 3/4885JAK2 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.