SCHEMBL2300170

SCHEMBL2300170

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccccc3C)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.38
EPHB4 P54760 3/20 0.37
CHEK1 O14757 2/20 0.36
WEE1 P30291 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HSD11B1 P28845 1/20 0.33
ADORA2A P29274 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
YES1 P07947 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL2297735 0.88 TLR8 (0.39) TLR8CHEK1WEE1KDM4ELMNA
SCHEMBL2299695 0.85 PSEN1 (0.36) TLR8EPHB4CHEK1WEE1KDM4E
SCHEMBL2301220 0.85 AGTR1 (0.42)
SCHEMBL4114788 0.85 CASP1 (0.34) TLR8CHEK1WEE1KDM4ELMNA
SCHEMBL3399510 0.85 CHEK1 (0.35) TLR8CHEK1WEE1CNR2
SCHEMBL2298814 0.85 KDM4E (0.42) TLR8KDM4ECNR2
SCHEMBL2295621 0.85 CYP1A2 (0.33) TLR8CHEK1WEE1KDM4ELMNA
SCHEMBL2301194 0.85 PPARG (0.40) TLR8CHEK1WEE1LMNACNR1
SCHEMBL2299773 0.84 TLR8 (0.40) TLR8CHEK1WEE1KDM4ELMNA
SCHEMBL2296013 0.83 AXL (0.35) TLR8LMNACNR2

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 9 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
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO 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 4623/4885EPHB4 4506/4885CHEK1 337/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885EPHB4 4569/4885CHEK1 259/4885

“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.