SCHEMBL2295637

SCHEMBL2295637

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccnc(OC)c3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 5/20 0.34
TGFBR2 P37173 5/20 0.34
PDE4B Q07343 1/20 0.34
APLNR P35414 1/20 0.33
GRM2 Q14416 2/20 0.33
TGFBR1 P36897 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.32
ADORA2B P29275 1/20 0.32
DYRK1A Q13627 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PIK3CD O00329 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
CNR1 P21554 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL2300055 0.87 GRM2 (0.41) GRM2
SCHEMBL2297970 0.87 PDE4B (0.34) PDE4BGRM2DYRK1ATP53GAA
SCHEMBL2298472 0.85 RIPK3 (0.35) PDE4BGRM2SMN1; SMN2MAPT
SCHEMBL2298485 0.85 PDE4B (0.42) PDE4BGRM2ADORA2BTP53GAA
SCHEMBL2298970 0.84 TLR8 (0.44) ADORA2BCNR1TP53GAAMAPT
SCHEMBL2300213 0.83 CNR1 (0.34) CNR1SMN1; SMN2MAPT
SCHEMBL2297571 0.83 TLR8 (0.37) CNR1TP53MAPT
SCHEMBL2298187 0.82 TLR8 (0.37) PDE4BTP53GAASMN1; SMN2
SCHEMBL2295859 0.82 TP53 (0.47) TP53
SCHEMBL2301135 0.82 MGLL (0.39) GRM2TP53GAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP 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 (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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 ACVR2A 2227/4885TGFBR2 2644/4885PDE4B 1700/4885

“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.