SCHEMBL2298970

SCHEMBL2298970

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(OC)c3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
GCGR P47871 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MAPT P10636 2/20 0.39
ICMT O60725 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
PLAU P00749 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2298485 0.89 PDE4B (0.42) TLR8JAK2JAK1MAPTTP53
SCHEMBL2297981 0.89 PIM1 (0.39)
SCHEMBL2300501 0.88 TLR7 (0.38) TLR8TLR7
SCHEMBL2302534 0.88 TLR8 (0.44) TLR8MAPTCNR2TP53GAA
SCHEMBL2302606 0.88 GCGR (0.40) TLR8GCGRICMTTP53GAA
SCHEMBL2295859 0.87 TP53 (0.47) TLR8ICMTGRIN2DGRIN3BGRIN1
SCHEMBL2300121 0.86 TGFBR1 (0.36) TLR8JAK1TP53TLR7
SCHEMBL2298814 0.86 KDM4E (0.42) TLR8GCGRMAPTCNR2TP53
SCHEMBL2300654 0.86 CRHR1 (0.40) TLR8JAK2JAK1CNR2ADORA2B
SCHEMBL2297390 0.86 TLR8 (0.43) TLR8GCGRJAK2JAK1ICMT

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 1346/4885JAK2 3348/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885GCGR 1276/4885JAK2 3478/4885

“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.