SCHEMBL2298814

SCHEMBL2298814

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4B Q07343 4/20 0.38
DPP4 P27487 1/20 0.38
GAA P10253 2/20 0.36
TLR8 Q9NR97 4/20 0.36
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL2300694 0.91 TLR8 (0.39) KDM4EMAPTALDH1A1TLR8CNR2
SCHEMBL2299677 0.91 ESR1 (0.38) KDM4EMAPTALDH1A1GAATP53
SCHEMBL2302534 0.90 TLR8 (0.44) MAPTTSHRDPP4GAATLR8
SCHEMBL2302606 0.90 GCGR (0.40) KDM4EALDH1A1GAATLR8TP53
SCHEMBL2298472 0.90 RIPK3 (0.35) KDM4EMAPTTSHRALDH1A1PDE4B
SCHEMBL2297571 0.90 TLR8 (0.37) KDM4EMAPTDPP4TLR8TP53
SCHEMBL2295859 0.89 TP53 (0.47) TLR8TP53CNR2
SCHEMBL2296121 0.89 TLR8 (0.42) KDM4EMAPTPDE4BTLR8CNR2
SCHEMBL2299443 0.89 TLR8 (0.38) KDM4EMAPTTLR8GCGR
SCHEMBL2297390 0.88 TLR8 (0.43) TLR8TP53CNR2GCGR

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 7 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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
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 KDM4E 4841/4885MAPT 299/4885TSHR 846/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 KDM4E 4848/4885MAPT 424/4885TSHR 904/4885

“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.