SCHEMBL2300501

SCHEMBL2300501

CCCCCn1c(O)nc2ncc(Cl)c(-c3cncc(OC)c3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.38
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 4/20 0.35
CYP17A1 P05093 2/20 0.35
CYP3A4 P08684 2/20 0.35
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ERBB2 P04626 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB3 Q05901 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL2298970 0.88 TLR8 (0.44) TLR7TLR8
SCHEMBL2299435 0.88 KDM4E (0.30) CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2297468 0.88 TLR7 (0.34) TLR7CYP1A2TLR8
SCHEMBL2298485 0.87 PDE4B (0.42) PDE4BTLR8ERBB2
SCHEMBL2299908 0.86 TLR7 (0.36) TLR7CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL2296335 0.84 GRM2 (0.33) TLR8
SCHEMBL2295637 0.82 ACVR2A (0.34) PDE4BDYRK1A
SCHEMBL2300654 0.82 CRHR1 (0.40) PDE4BTLR8ERBB2DYRK1A
SCHEMBL2298472 0.81 RIPK3 (0.35) CYP3A4PDE4BTLR8
SCHEMBL2300055 0.81 GRM2 (0.41) CYP3A4CYP1A2CYP2C9

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-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-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 (1 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 TLR7 4866/4885CYP11B2 1757/4885CYP11B1 1562/4885

“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.