SCHEMBL2317595

SCHEMBL2317595

Nc1ncc(Br)nc1OC1CCCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ PIK3CD O00329 4/20 0.38
▸ EGFR P00533 4/20 0.37
▸ ITK Q08881 3/20 0.37
▸ BTK Q06187 3/20 0.37
▸ HMOX1 P09601 1/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ LOX P28300 1/20 0.34

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
SCHEMBL25381756 0.93 HMOX1 (0.42) PIK3CDHMOX1
SCHEMBL3136783 0.87 ATR (0.35) PIK3CDEGFRBTKHMOX1PIM1
SCHEMBL2321924 0.85 IKBKB (0.37) PIK3CDHMOX1
SCHEMBL2322910 0.82 BTK (0.41) BTKCYP4A11CYP4F2PIM2
SCHEMBL2319533 0.80 CHRM2 (0.40) PIM1PIM3PIM2
SCHEMBL3141781 0.77 JAK3 (0.35) JAK3
SCHEMBL11905717 0.77 PIK3CD (0.54) PIK3CD
SCHEMBL1585498 0.77 PIK3CD (0.54) PIK3CD
SCHEMBL3150805 0.76 ATR (0.46) PIK3CD
SCHEMBL25245764 0.75 HSD11B1 (0.40) PTPN11PIK3CDEGFRITKBTK

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 4 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
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 PTPN11 2026/4885PIK3CD 753/4885EGFR 3388/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA PTPN11 2026/4885PIK3CD 753/4885EGFR 3388/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA PTPN11 2026/4885PIK3CD 753/4885EGFR 3388/4885

“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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