SCHEMBL2298472

SCHEMBL2298472

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccncc3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.35
GRM2 Q14416 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 2/20 0.32
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HTT P42858 3/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 2/20 0.31
FAAH O00519 1/20 0.31
PDE4B Q07343 1/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2298814 0.90 KDM4E (0.42) KDM4EMAPTCNR2TLR8ALDH1A1
SCHEMBL2299677 0.90 ESR1 (0.38) CYP3A4KDM4EMAPTALDH1A1HSD17B10
SCHEMBL2300694 0.90 TLR8 (0.39) KDM4EMAPTCNR2TLR8ALDH1A1
SCHEMBL2297571 0.89 TLR8 (0.37) KDM4EMAPTCNR2TLR8LMNA
SCHEMBL2297970 0.88 PDE4B (0.34) GRM2KDM4ETLR8ALDH1A1LMNA
SCHEMBL2296121 0.88 TLR8 (0.42) GRM2CYP3A4CYP2D6KDM4EMAPT
SCHEMBL2299443 0.88 TLR8 (0.38) RIPK3KDM4EMAPTTLR8
SCHEMBL2296335 0.87 GRM2 (0.33) GRM2TLR8
SCHEMBL2298091 0.87 TLR8 (0.41) KDM4ECNR2TLR8ALDH1A1
SCHEMBL3399430 0.87 GCGR (0.33) KDM4EMAPTTLR8SMN1; SMN2

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-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
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 RIPK3 1077/4885GRM2 1827/4885CYP3A4 4635/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 RIPK3 1098/4885GRM2 1829/4885CYP3A4 4436/4885

“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.