SCHEMBL2318784

SCHEMBL2318784

CNc1ncc(Br)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CCR4 P51679 10/20 0.34
EDNRA P25101 2/20 0.34
LRRK2 Q5S007 1/20 0.33
CCR5 P51681 1/20 0.31
IKBKB O14920 1/20 0.31
ADORA2A P29274 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
CDK7 P50613 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKAA1 Q13131 1/20 0.31
AURKB Q96GD4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL31362142 0.80 ADORA2A (0.37) MAPK1CCR4EDNRALRRK2CCR5
SCHEMBL18824620 0.80 ADORA2A (0.37) MAPK1CCR4EDNRALRRK2CCR5
SCHEMBL2628999 0.78 PGK1 (0.38) CCR4LRRK2CCR5
SCHEMBL6647400 0.77 LMNA (0.38) MAPK1CCR4LRRK2RETKDR
SCHEMBL15003295 0.77 PGK1 (0.45) MAPK1CCR4EDNRA
SCHEMBL30588876 0.76 ADORA2A (0.37) MAPK1CCR4EDNRALRRK2ADORA2A
SCHEMBL7322176 0.76 ADORA2A (0.37) MAPK1CCR4EDNRALRRK2ADORA2A
SCHEMBL2628997 0.75 CCR4 (0.54) CCR4EDNRACCR5
SCHEMBL31696340 0.74 KDM4E (0.38) CCR4ABL1
SCHEMBL1122180 0.74 KDM4E (0.38) CCR4ABL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 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 (4 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP MAPK1 1691/4885CCR4 4854/4885EDNRA 1097/4885
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA MAPK1 311/4885CCR4 4744/4885EDNRA 1084/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA MAPK1 311/4885CCR4 4744/4885EDNRA 1084/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA MAPK1 311/4885CCR4 4744/4885EDNRA 1084/4885

“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.