SCHEMBL2321391

SCHEMBL2321391

Brc1cnc(N2CCOCC2)c(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACP1 P24666 1/20 0.39
AR P10275 2/20 0.38
PTK2 Q05397 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 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
SCHEMBL2324009 0.83 ALDH1A1 (0.42) MAPK1ALDH1A1TSHRKDM4EHTT
SCHEMBL2321134 0.81 TSHR (0.44) MAPK1ALDH1A1TSHRKDM4EHTT
SCHEMBL2322572 0.81 TSHR (0.44) MAPK1ALDH1A1TSHRKDM4EHTT
SCHEMBL30366458 0.81 KDM4E (0.51) MAPK1ALDH1A1TSHRKDM4EGAA
SCHEMBL1445139 0.81 KDM4E (0.51) MAPK1ALDH1A1TSHRKDM4EGAA
SCHEMBL11219511 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1TSHRKDM4EGAA
SCHEMBL14725974 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1TSHRKDM4EGAA
SCHEMBL11232604 0.79 ALDH1A1 (0.44) MAPK1ALDH1A1TSHRKDM4EGAA
SCHEMBL3247164 0.77 OPRK1 (0.47) MAPK1ALDH1A1KDM4ETDP1MAPT
SCHEMBL14725971 0.76 ALDH1A1 (0.44) MAPK1ALDH1A1TSHRKDM4EGAA

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 MAPK1 311/4885ALDH1A1 3647/4885TSHR 3767/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA MAPK1 311/4885ALDH1A1 3647/4885TSHR 3767/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA MAPK1 311/4885ALDH1A1 3647/4885TSHR 3767/4885

“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.