SCHEMBL2300201

SCHEMBL2300201

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(Cl)c(F)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GRIN2B Q13224 1/20 0.33
ICMT O60725 2/20 0.33
GRM2 Q14416 1/20 0.33
KCNH2 Q12809 2/20 0.33
KMO O15229 2/20 0.33
GCGR P47871 2/20 0.33
APLNR P35414 1/20 0.33
PDE4D Q08499 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL2302653 0.94 GCGR (0.39) PGRGRIN2BICMTGRM2GCGR
SCHEMBL2299443 0.89 TLR8 (0.38) PGRGCGR
SCHEMBL2301135 0.89 MGLL (0.39) PGRGRIN2BGRM2SIRT2
SCHEMBL2299677 0.87 ESR1 (0.38)
SCHEMBL2300694 0.87 TLR8 (0.39) GCGR
SCHEMBL2297390 0.86 TLR8 (0.43) GRIN2BICMTGCGR
SCHEMBL2297571 0.86 TLR8 (0.37) GCGRSIRT2SIRT1
SCHEMBL2298814 0.84 KDM4E (0.42) GCGRPDE4B
SCHEMBL2299908 0.84 TLR7 (0.36)
SCHEMBL2298091 0.84 TLR8 (0.41)

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 6 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-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 PGR 3553/4885KDM4C 4657/4885GRIN2B 3318/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 PGR 3196/4885KDM4C 4622/4885GRIN2B 3416/4885

“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.