SCHEMBL2320893

SCHEMBL2320893

COCCN(C)c1ncc(Br)nc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ SLC9A5 Q14940 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR7 P34969 1/20 0.33
▸ GBA1 P04062 4/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ GRM4 Q14833 3/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ CRHR1 P34998 1/20 0.31

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
SCHEMBL6105147 0.98 ROCK2 (0.36) ROCK2ROCK1SLC9A5ALDH1A1HTR7
SCHEMBL6105145 0.97 ROCK2 (0.35) ROCK2ROCK1SLC9A5ALDH1A1HTR7
SCHEMBL27713565 0.78 GRM4 (0.38) ROCK2ROCK1SLC9A5ALDH1A1GBA1
SCHEMBL2317356 0.73 MAPK1 (0.31) —
SCHEMBL2320475 0.72 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL25027527 0.72 KCNQ3 (0.35) ROCK2ROCK1SLC9A5ALDH1A1HTR7
SCHEMBL29361363 0.72 KCNQ3 (0.35) ROCK2ROCK1SLC9A5ALDH1A1HTR7
SCHEMBL2322713 0.70 GBA1 (0.41) ALDH1A1GBA1
SCHEMBL3606370 0.69 ACACB (0.41) ALDH1A1PIK3CDKCNQ3KCNQ2AOC3
SCHEMBL3844536 0.68 HCAR3 (0.40) ROCK2ROCK1SLC9A5ALDH1A1

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 3 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

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-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC9A5 3412/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC9A5 3412/4885

“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.

Send feedback