SCHEMBL2321220

SCHEMBL2321220

Nc1ncc(Br)nc1N1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.44
▸ NEK2 P51955 6/20 0.42
▸ PIK3CA P42336 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3R1 P27986 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ NEK1 Q96PY6 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL2320440 0.83 NEK2 (0.45) NEK2PIK3CAMTORPLK1NEK1
SCHEMBL2321276 0.78 ROCK2 (0.67) NEK2PLK1NEK1ROCK2ROCK1
SCHEMBL22234855 0.77 MAPT (0.49) NEK2ROCK2ROCK1
SCHEMBL2325112 0.77 PTPN11 (0.44) NEK2PLK1NEK1
SCHEMBL28072187 0.76 HTR2C (0.50) —
SCHEMBL2317513 0.76 CYP1A2 (0.47) ROCK2ROCK1
SCHEMBL1445139 0.73 KDM4E (0.51) PIK3CAMTORPIK3R1
SCHEMBL3146942 0.73 HRH4 (0.54) ROCK2ROCK1
SCHEMBL30366458 0.73 KDM4E (0.51) PIK3CAMTORPIK3R1
SCHEMBL17700131 0.72 ABL1 (0.52) PDE10A

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 7 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
CN-101102773-B Aminopyrazine analogs for the treatment of glaucoma and other RHO kinase-mediated diseases ALCON INC 2010-10-27 — — CN 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
CN-101102773-A Aminopyrazine analogs for the treatment of glaucoma and other RHO kinase-mediated diseases ALCON INC (CH) 2008-01-09 — — CN 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 (2 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-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA PDE10A 278/4885NEK2 481/4885PIK3CA 1124/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA PDE10A 278/4885NEK2 481/4885PIK3CA 1124/4885

“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.

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