SCHEMBL2321911

SCHEMBL2321911

Nc1ncc(Br)nc1NC1CCCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.42
EGFR P00533 2/20 0.42
ITK Q08881 1/20 0.42
BTK Q06187 4/20 0.41
JAK1 P23458 2/20 0.41

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
SCHEMBL2318073 0.93 BTK (0.40) JAK3EGFRBTK
SCHEMBL2320756 0.86 JAK3 (0.43) JAK3EGFRITKBTKJAK1
SCHEMBL2317524 0.85 JAK3 (0.41) JAK3EGFRITKBTKJAK1
SCHEMBL2318461 0.84 JAK3 (0.42) JAK3EGFRITKBTKJAK1
SCHEMBL2320980 0.84 OPRK1 (0.40) JAK3EGFRITKBTKJAK1
SCHEMBL15203442 0.84 EGFR (0.46) JAK3EGFRITKBTKJAK1
SCHEMBL30841573 0.84 BTK (0.49) BTKJAK1
SCHEMBL3460880 0.81 PIM1 (0.47) JAK3
SCHEMBL3819913 0.81 PIM1 (0.47) JAK3
SCHEMBL2211261 0.81 LDHA (0.46) JAK3BTKJAK1

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 JAK3 969/4885EGFR 3388/4885ITK 1108/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA JAK3 969/4885EGFR 3388/4885ITK 1108/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA JAK3 969/4885EGFR 3388/4885ITK 1108/4885

“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.