SCHEMBL2320168

SCHEMBL2320168

CN1CCCN(c2nc(Br)cnc2N2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.60
ROCK1 Q13464 8/20 0.60
HRH4 Q9H3N8 2/20 0.42
HRH1 P35367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2321291 1.00 ROCK2 (0.60) ROCK2ROCK1HRH4HRH1SMN1; SMN2
SCHEMBL2323509 0.98 ROCK2 (0.59) ROCK2ROCK1HRH4HRH1SMN1; SMN2
SCHEMBL2321570 0.89 ROCK2 (0.63) ROCK2ROCK1HRH4
SCHEMBL2320500 0.85 ROCK2 (0.62) ROCK2ROCK1HRH4
SCHEMBL2318777 0.81 ROCK2 (0.62) ROCK2ROCK1HRH4
SCHEMBL2322026 0.81 ROCK2 (0.62) ROCK2ROCK1HRH4
SCHEMBL2321683 0.81 ROCK2 (0.59) ROCK2ROCK1HRH4HRH1SMN1; SMN2
SCHEMBL2319190 0.78 ROCK2 (0.65) ROCK2ROCK1HRH4
SCHEMBL3146942 0.78 HRH4 (0.54) ROCK2ROCK1HRH4SMN1; SMN2
SCHEMBL2321935 0.77 ROCK2 (0.62) ROCK2ROCK1HRH1

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 ROCK2 1/4885ROCK1 2/4885HRH4 631/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HRH4 631/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HRH4 631/4885

“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.