SCHEMBL2299773

SCHEMBL2299773

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(C)cc3Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.40
CRHR1 P34998 6/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
ESR1 P03372 2/20 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
SCHEMBL2300654 0.87 CRHR1 (0.40) TLR8CRHR1KDM4E
SCHEMBL2298083 0.86 TLR8 (0.37) TLR8TP53SMN1; SMN2NPC1POLB
SCHEMBL2297571 0.86 TLR8 (0.37) TLR8TP53KDM4ELMNA
SCHEMBL2298187 0.85 TLR8 (0.37) TLR8TP53SMN1; SMN2NPC1POLB
SCHEMBL2295859 0.85 TP53 (0.47) TLR8TP53
SCHEMBL2300170 0.84 TLR8 (0.38) TLR8KDM4ELMNACHEK1WEE1
SCHEMBL2299861 0.84 LATS1 (0.32) TLR8SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2296168 0.83 TLR8 (0.33) TLR8SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL2297735 0.81 TLR8 (0.39) TLR8SMN1; SMN2MAPK1KDM4EMEN1
SCHEMBL2297970 0.81 PDE4B (0.34) TLR8TP53SMN1; SMN2KDM4EMEN1

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 4623/4885CRHR1 3002/4885TP53 1230/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885CRHR1 2961/4885TP53 959/4885

“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.