SCHEMBL2297970

SCHEMBL2297970

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.34
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GRM2 Q14416 3/20 0.32
ENPP2 Q13822 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
TP53 P04637 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 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
SCHEMBL2298472 0.88 RIPK3 (0.35) PDE4BTLR8KDM4EALDH1A1SMN1; SMN2
SCHEMBL2295637 0.87 ACVR2A (0.34) PDE4BGAASMN1; SMN2GRM2DYRK1A
SCHEMBL2297291 0.86 GRM5 (0.38) TLR8ENPP2GRM5
SCHEMBL2300213 0.86 CNR1 (0.34) KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2297571 0.86 TLR8 (0.37) TLR8KDM4EENPP2LMNATP53
SCHEMBL2298187 0.85 TLR8 (0.37) PDE4BTLR8KDM4EMEN1ALDH1A1
SCHEMBL2295859 0.85 TP53 (0.47) TLR8TP53
SCHEMBL2298814 0.84 KDM4E (0.42) PDE4BTLR8KDM4EALDH1A1GAA
SCHEMBL2299677 0.84 ESR1 (0.38) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL2300694 0.84 TLR8 (0.39) TLR8KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO 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 PDE4B 1700/4885TLR8 4623/4885KDM4E 4841/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 PDE4B 1509/4885TLR8 4634/4885KDM4E 4848/4885

“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.