SCHEMBL2322713

SCHEMBL2322713

CCN(CC)c1ncc(Br)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.41
▸ HTT P42858 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PGK1 P00558 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LATS1 O95835 1/20 0.32
▸ LATS2 Q9NRM7 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ TERT O14746 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL2317356 0.78 MAPK1 (0.31) HTTSMN1; SMN2KDM4EMAPK1L3MBTL1
SCHEMBL3252160 0.75 MAPK1 (0.38) GBA1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL25027564 0.70 GBA1 (0.32) GBA1TDP1
SCHEMBL2320893 0.70 ROCK2 (0.37) GBA1ALDH1A1
SCHEMBL2319190 0.69 ROCK2 (0.65) —
SCHEMBL6105147 0.69 ROCK2 (0.36) GBA1ALDH1A1
SCHEMBL6105145 0.68 ROCK2 (0.35) GBA1ALDH1A1
SCHEMBL20843727 0.67 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2NPC1MAPK1L3MBTL1
SCHEMBL13649069 0.67 KMT2A (0.52) GBA1HTTALDH1A1SMN1; SMN2ALOX15
SCHEMBL21546435 0.67 GBA1 (0.46) GBA1HTTALDH1A1SMN1; SMN2ALOX15

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 GBA1 1454/4885HTT 2056/4885ALDH1A1 3647/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA GBA1 1454/4885HTT 2056/4885ALDH1A1 3647/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA GBA1 1454/4885HTT 2056/4885ALDH1A1 3647/4885

“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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