SCHEMBL2324433

SCHEMBL2324433

O=C(O)N1CCCC(Nc2nc(-c3ccncc3)cnc2N2CCCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.51
ROCK1 Q13464 12/20 0.51
JAK3 P52333 7/20 0.41
JAK2 O60674 6/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2321021 0.99 ROCK2 (0.50) ROCK2ROCK1JAK3JAK2HPGD
SCHEMBL2322487 0.99 ROCK2 (0.50) ROCK2ROCK1JAK3JAK2HPGD
SCHEMBL2321280 0.85 JAK3 (0.44) ROCK2ROCK1JAK3JAK2HPGD
SCHEMBL2317524 0.81 JAK3 (0.41) JAK3JAK2
SCHEMBL2320980 0.81 OPRK1 (0.40) JAK3JAK2
SCHEMBL2319310 0.78 ROCK2 (0.67) ROCK2ROCK1HPGD
SCHEMBL12439343 0.78 ROCK2 (0.57) ROCK2ROCK1
Hydrochloric Acid SCHEMBL2321023 0.77 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL2324430 0.77 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL12439995 0.77 ROCK2 (0.56) ROCK2ROCK1

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 6 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
EP-1830853-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES ALCON INC. (CH) 2007-09-12 EP disclosed
WO-2006071548-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES ALCON, INC. (CH) 2006-07-06 WO 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 ROCK2 1/4885ROCK1 2/4885JAK3 969/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885JAK3 969/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885JAK3 969/4885

“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.