SCHEMBL16079017

SCHEMBL16079017

N#Cc1nc2ccc(N)c(C#N)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.51
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MDM4 O15151 1/20 0.36
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
APP P05067 1/20 0.32
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL21063750 0.79 PSMB8 (0.65) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL14733486 0.78 MDM4 (0.33) PSMB8MDM4ADORA1ADORA2AKDM4E
SCHEMBL15927564 0.76 PSMB8 (0.42) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL16113912 0.72 PSMB8 (0.45) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL16078991 0.70 PSMB8 (0.40) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL23087502 0.69 SLC22A12 (0.35) MDM4ADORA1ADORA2AALDH1A1PRKACA
SCHEMBL8040147 0.69 PSMB8 (0.67) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL8022630 0.69 PSMB8 (0.57) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL8034068 0.69 PSMB8 (0.49) PSMB8GSK3AGSK3BCCNB2CDK1
SCHEMBL146303 0.68 SMN1; SMN2 (0.56) MDM4KDM4EALDH1A1APPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446044-B2 DYRK1 inhibitors and uses thereof DIAXONHIT (FR) 2016-09-20 US disclosed
EP-2744797-B1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2015-09-09 EP disclosed
US-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2014-09-18 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 (1 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-20140275064-A1 DYRK1 INHIBITORS AND USES THEREOF DYRK1A, DYRK1B, DYRK2 PSMB8 3612/4885GSK3A 204/4885GSK3B 232/4885

“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.