SCHEMBL2322669

SCHEMBL2322669

CN1CCCN(c2nc(-c3ccnc(NC(=O)O)c3)cnc2N)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.72
ROCK1 Q13464 14/20 0.72
PIK3C3 Q8NEB9 2/20 0.47
NEK2 P51955 2/20 0.46
DYRK1A Q13627 1/20 0.45

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
SCHEMBL2325042 0.88 ROCK2 (0.75) ROCK2ROCK1NEK2
SCHEMBL2321462 0.85 ROCK2 (0.71) ROCK2ROCK1NEK2
SCHEMBL12439974 0.84 ROCK2 (1.00) ROCK2ROCK1NEK2
Hydrochloric Acid SCHEMBL2320003 0.83 ROCK2 (0.98) ROCK2ROCK1NEK2
SCHEMBL3513029 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL6845259 0.73 ROCK2 (0.59) ROCK2ROCK1NEK2
SCHEMBL13226136 0.73 ROCK2 (0.85) ROCK2ROCK1
SCHEMBL12440043 0.73 ROCK2 (1.00) ROCK2ROCK1
Hydrochloric Acid SCHEMBL2321768 0.73 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL2322515 0.73 ROCK2 (1.00) 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 2/4885PIK3C3 1565/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885PIK3C3 1565/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885PIK3C3 1565/4885

“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.