SCHEMBL2298208

SCHEMBL2298208

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.34
DPP4 P27487 1/20 0.33
AURKA O14965 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 1/20 0.32
ESR1 P03372 2/20 0.32
TLR7 Q9NYK1 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
STAT3 P40763 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
STK17A Q9UEE5 1/20 0.31
HSD11B1 P28845 1/20 0.31
CNR2 P34972 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 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
SCHEMBL3398950 0.91 DPP4 (0.36) TLR8DPP4TLR7
SCHEMBL3399430 0.90 GCGR (0.33) TLR8SIRT2SIRT1ESR1TLR7
SCHEMBL2299677 0.89 ESR1 (0.38) ESR1MAPTNPC1STAT3RAB9A
SCHEMBL2300694 0.89 TLR8 (0.39) TLR8MAPTCNR2KDM4E
SCHEMBL3399600 0.88 HSD11B1 (0.34) TLR7MAPTNPC1STAT3RAB9A
SCHEMBL2297571 0.88 TLR8 (0.37) TLR8DPP4SIRT2SIRT1MAPT
SCHEMBL2300163 0.88 SMN1; SMN2 (0.32) ESR1MAPTNPC1STAT3RAB9A
SCHEMBL2300044 0.88 AURKA (0.38) TLR8AURKATLR7SMN1; SMN2
SCHEMBL2299443 0.87 TLR8 (0.38) TLR8MAPTKDM4E
SCHEMBL2298814 0.87 KDM4E (0.42) TLR8DPP4MAPTCNR2KDM4E

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 TLR8 4623/4885DPP4 2764/4885AURKA 3816/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885DPP4 2786/4885AURKA 3832/4885

“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.