SCHEMBL3397379

SCHEMBL3397379

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TP53 P04637 1/20 0.35
TLR8 Q9NR97 4/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.32
HTR1A P08908 6/20 0.31
DRD1 P21728 6/20 0.31
DRD4 P21917 6/20 0.31
DRD5 P21918 6/20 0.31
DRD3 P35462 6/20 0.31
PTGER4 P35408 1/20 0.31
DRD2 P14416 5/20 0.31
RORC P51449 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SYK P43405 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
SCHEMBL2297786 0.89 GRM2 (0.32) TLR8KDM4EMAPTCNR2PTGER4
SCHEMBL2302534 0.87 TLR8 (0.44) TP53TLR8MAPTCNR2
SCHEMBL2302606 0.87 GCGR (0.40) TP53TLR8KDM4EHTR1ADRD1
SCHEMBL2295859 0.86 TP53 (0.47) TP53TLR8CNR2
SCHEMBL2298814 0.85 KDM4E (0.42) TP53TLR8KDM4EMAPTCNR2
SCHEMBL2297390 0.85 TLR8 (0.43) TP53TLR8CNR2
SCHEMBL2300092 0.84 NR1H2 (0.36) NR4A2KCNH2NR1H2NR1H3TP53
SCHEMBL3398950 0.83 DPP4 (0.36) TP53TLR8
SCHEMBL2298970 0.83 TLR8 (0.44) TP53TLR8MAPTCNR2
SCHEMBL2298156 0.82 DYRK1A (0.37) TP53TLR8KDM4EMAPTCNR2

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-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-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 NR4A2 3522/4885KCNH2 4562/4885NR1H2 3171/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 NR4A2 3382/4885KCNH2 4609/4885NR1H2 2883/4885

“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.