SCHEMBL2297291

SCHEMBL2297291

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(C)nc3)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.38
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 2/20 0.33
CRHR1 P34998 1/20 0.33
ENPP2 Q13822 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TLR8 Q9NR97 4/20 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
SCHEMBL2297571 0.89 TLR8 (0.37) SIRT2SIRT1ENPP2CNR1CNR2
SCHEMBL2299677 0.88 ESR1 (0.38)
SCHEMBL2300694 0.88 TLR8 (0.39) GRM5ENPP2CNR1CNR2TLR8
SCHEMBL2300055 0.86 GRM2 (0.41) CNR2
SCHEMBL2296121 0.86 TLR8 (0.42) CNR1CNR2TLR8
SCHEMBL2297970 0.86 PDE4B (0.34) GRM5ENPP2TLR8
SCHEMBL2299443 0.86 TLR8 (0.38) TLR8
SCHEMBL2298814 0.85 KDM4E (0.42) CNR2TLR8
SCHEMBL3399430 0.85 GCGR (0.33) SIRT2SIRT1TLR8
SCHEMBL2298472 0.84 RIPK3 (0.35) CNR2TLR8

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 GRM5 2538/4885SIRT2 2972/4885SIRT1 837/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 GRM5 2577/4885SIRT2 2870/4885SIRT1 677/4885

“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.