SCHEMBL2320980

SCHEMBL2320980

O=C(O)N1CCCC(Nc2nc(Br)cnc2N2CCCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.40
JAK3 P52333 13/20 0.40
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
JAK2 O60674 5/20 0.38
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
BTK Q06187 1/20 0.37
JAK1 P23458 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
SCHEMBL2317524 0.99 JAK3 (0.41) OPRK1JAK3EGFRITKJAK2
SCHEMBL2321911 0.84 JAK3 (0.42) JAK3EGFRITKBTKJAK1
SCHEMBL2320756 0.82 JAK3 (0.43) JAK3EGFRITKJAK2BTK
SCHEMBL2321021 0.82 ROCK2 (0.50) JAK3JAK2
SCHEMBL2322487 0.82 ROCK2 (0.50) JAK3JAK2
SCHEMBL2324433 0.81 ROCK2 (0.51) JAK3JAK2
SCHEMBL15203442 0.80 EGFR (0.46) JAK3EGFRITKJAK2BTK
SCHEMBL2318461 0.80 JAK3 (0.42) JAK3EGFRITKJAK2BTK
SCHEMBL2318073 0.77 BTK (0.40) JAK3EGFRJAK2BTK
SCHEMBL2322875 0.75 IRAK4 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D

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
EP-1830853-B1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES NOVARTIS AG (CH) 2011-08-10 EP disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 US disclosed
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2008-10-30 US disclosed
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ALCON, INC. 2006-06-29 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 (3 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-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA OPRK1 1232/4885JAK3 969/4885EGFR 3388/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA OPRK1 1232/4885JAK3 969/4885EGFR 3388/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA OPRK1 1232/4885JAK3 969/4885EGFR 3388/4885

“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.