SCHEMBL2323296

SCHEMBL2323296

OCCNc1ncc(Br)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 1/20 0.36
TNF P01375 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
EGFR P00533 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 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
SCHEMBL2320940 0.77 PDE10A (0.41) KDM4EMAPK1LMNAALDH1A1CYP3A4
SCHEMBL15003295 0.77 PGK1 (0.45) KDM4EMAPK1LATS1LATS2
SCHEMBL1367730 0.76 LMNA (0.37) MAPTLMNAALDH1A1KMT2AHSD17B10
SCHEMBL15001195 0.75 ATR (0.35) ALDH1A1
SCHEMBL15001219 0.75 ATR (0.35) ALDH1A1
SCHEMBL15117618 0.75 ATR (0.38) KDM4EMAPTEGFR
SCHEMBL23461169 0.75 APP (0.47) MAPK1MAPTLMNAEGFRKMT2A
SCHEMBL29904352 0.75 APP (0.47) MAPK1MAPTLMNAEGFRKMT2A
SCHEMBL16533822 0.75 KDM4E (0.39) KDM4EMAPK1MAPTLMNAALDH1A1
SCHEMBL2379402 0.73 ALDH1A1 (0.45) KDM4EMAPK1MAPTLMNAALDH1A1

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 KDM4E 2251/4885MAPK1 311/4885MAPT 647/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA KDM4E 2251/4885MAPK1 311/4885MAPT 647/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA KDM4E 2251/4885MAPK1 311/4885MAPT 647/4885

“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.