SCHEMBL2321935

SCHEMBL2321935

OCCN1CCN(c2nc(Br)cnc2N2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.62
ROCK1 Q13464 6/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH1 P35367 1/20 0.41
GAA P10253 1/20 0.41
METAP1 P53582 1/20 0.38

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
SCHEMBL2321723 0.80 ROCK2 (0.64) ROCK2ROCK1MEN1KMT2ACYP3A4
SCHEMBL2323509 0.78 ROCK2 (0.59) ROCK2ROCK1HRH1
SCHEMBL12439988 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2320168 0.77 ROCK2 (0.60) ROCK2ROCK1HRH1
SCHEMBL2321291 0.77 ROCK2 (0.60) ROCK2ROCK1HRH1
Hydrochloric Acid SCHEMBL2364328 0.76 ROCK2 (0.98) ROCK2ROCK1
SCHEMBL2320635 0.73 ROCK2 (0.37) ROCK2ROCK1ALDH1A1
SCHEMBL2324009 0.71 ALDH1A1 (0.42) ROCK2ROCK1CYP2C9CYP2C19HTT
SCHEMBL22234855 0.70 MAPT (0.49) ROCK2ROCK1CYP2C9CYP2C19TSHR
SCHEMBL2321134 0.70 TSHR (0.44) ROCK2ROCK1CYP2C9CYP2C19HTT

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 8 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-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
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 (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 2/4885MEN1 3835/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 3835/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 3835/4885

“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.