SCHEMBL2298156

SCHEMBL2298156

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(C=O)c3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.37
DYRK2 Q92630 3/20 0.37
DYRK1B Q9Y463 3/20 0.37
DYRK3 O43781 2/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 2/20 0.32
CDK8 P49336 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL2302534 0.87 TLR8 (0.44) TP53MAPTTLR8CNR2DPP4
SCHEMBL2302606 0.87 GCGR (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2295859 0.86 TP53 (0.47) TP53TLR8CNR2
SCHEMBL2298814 0.85 KDM4E (0.42) TP53KDM4EMAPTTLR8CNR2
SCHEMBL2297390 0.85 TLR8 (0.43) CCNT1CDK9TP53TLR8CNR2
SCHEMBL2300026 0.84 PTPN11 (0.41) CNR2
SCHEMBL2297862 0.84 JAK1 (0.42) DRD2
SCHEMBL2300092 0.84 NR1H2 (0.36) TP53TLR8CDK8PSEN1PSEN2
SCHEMBL2296121 0.84 TLR8 (0.42) KDM4EMAPTTLR8CNR2
SCHEMBL2299837 0.83 NPC1 (0.41) TLR8CNR2

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
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 DYRK1A 1340/4885DYRK2 949/4885DYRK1B 1261/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 DYRK1A 1794/4885DYRK2 1338/4885DYRK1B 1765/4885

“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.