SCHEMBL2323712

SCHEMBL2323712

C[Sn](C)(C)c1cnc(N2CCCC2)c(N2CCCN(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 5/20 0.39
GBA1 P04062 2/20 0.37
TP53 P04637 5/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
PDE10A Q9Y233 2/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2320635 0.80 ROCK2 (0.37) ROCK2ROCK1GBA1TP53LMNA
SCHEMBL2321683 0.80 ROCK2 (0.59) ROCK2ROCK1SMN1; SMN2
SCHEMBL2319562 0.76 HRH4 (0.36)
SCHEMBL2319310 0.74 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3075186 0.72 CNR2 (0.47) TP53LMNAMAPTCNR2SMN1; SMN2
SCHEMBL28917757 0.69 AKR1C3 (0.43) MAPTSMN1; SMN2
SCHEMBL2324244 0.68 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL5239263 0.68 CNR2 (0.39) PDE10ACNR2
SCHEMBL13106057 0.68 MDM2 (0.44) TP53LMNACNR2
SCHEMBL2324318 0.67 ROCK2 (0.58) 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 2/4885GBA1 1454/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885GBA1 1454/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885GBA1 1454/4885

“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.