SCHEMBL2297786

SCHEMBL2297786

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(C(C)(C)O)cc3)c21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
PTGER4 P35408 1/20 0.31
RORC P51449 1/20 0.30
TLR8 Q9NR97 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
GSK3A P49840 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL2298091 0.90 TLR8 (0.41) KDM4ETLR8CNR1CNR2
SCHEMBL3397379 0.89 NR4A2 (0.37) KDM4EMAPTPTGER4RORCTLR8
SCHEMBL2299677 0.88 ESR1 (0.38) KDM4EMAPT
SCHEMBL2300694 0.88 TLR8 (0.39) KDM4EMAPTTLR8CNR1CNR2
SCHEMBL2297571 0.87 TLR8 (0.37) KDM4EMAPTTLR8SIRT2SIRT1
SCHEMBL2299443 0.86 TLR8 (0.38) KDM4EMAPTTLR8
SCHEMBL2298814 0.86 KDM4E (0.42) KDM4EMAPTTLR8CNR2
SCHEMBL3399430 0.85 GCGR (0.33) KDM4EMAPTTLR8SIRT2SIRT1
SCHEMBL2298472 0.85 RIPK3 (0.35) GRM2KDM4EMAPTTLR8CNR2
SCHEMBL2298485 0.84 PDE4B (0.42) GRM2KDM4EMAPTTLR8

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 GRM2 1827/4885KDM4E 4841/4885MAPT 299/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 GRM2 1829/4885KDM4E 4848/4885MAPT 424/4885

“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.