SCHEMBL2297571

SCHEMBL2297571

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.37
GCGR P47871 2/20 0.35
ENPP2 Q13822 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
DPP4 P27487 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
SCHEMBL2299677 0.92 ESR1 (0.38) TP53KDM4EMAPT
SCHEMBL2300694 0.92 TLR8 (0.39) TLR8GCGRENPP2CNR1CNR2
SCHEMBL2299443 0.90 TLR8 (0.38) TLR8GCGRKDM4EMAPT
SCHEMBL2298814 0.90 KDM4E (0.42) TLR8GCGRTP53CNR2KDM4E
SCHEMBL3399430 0.89 GCGR (0.33) TLR8GCGRKDM4EMAPTSIRT2
SCHEMBL2297291 0.89 GRM5 (0.38) TLR8ENPP2CNR1CNR2SIRT2
SCHEMBL2298472 0.89 RIPK3 (0.35) TLR8LMNACNR2KDM4EMAPT
SCHEMBL2298083 0.89 TLR8 (0.37) TLR8ENPP2TP53CNR1CNR2
SCHEMBL2298208 0.88 TLR8 (0.34) TLR8CNR2KDM4EMAPTSIRT2
SCHEMBL2298485 0.88 PDE4B (0.42) TLR8TP53LMNAKDM4EMAPT

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-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-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 TLR8 4623/4885GCGR 1346/4885ENPP2 2802/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885GCGR 1276/4885ENPP2 2810/4885

“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.