SCHEMBL2298091

SCHEMBL2298091

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
ADORA3 P0DMS8 2/20 0.33
NR3C1 P04150 1/20 0.33
P2RY14 Q15391 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
MDM2 Q00987 1/20 0.32
STAT3 P40763 1/20 0.32
SIK1 P57059 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
SIK3 Q9Y2K2 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
SCHEMBL2297786 0.90 GRM2 (0.32) TLR8KDM4ECNR2CNR1
SCHEMBL2299443 0.88 TLR8 (0.38) TLR8KDM4E
SCHEMBL2300694 0.88 TLR8 (0.39) TLR8KDM4EALDH1A1CNR2CNR1
SCHEMBL2299677 0.88 ESR1 (0.38) KDM4EALDH1A1STAT3
SCHEMBL2298472 0.87 RIPK3 (0.35) TLR8KDM4EALDH1A1CNR2
SCHEMBL2297571 0.87 TLR8 (0.37) TLR8KDM4ECNR2CNR1
SCHEMBL2296499 0.87 MERTK (0.38)
SCHEMBL2298814 0.86 KDM4E (0.42) TLR8KDM4EALDH1A1CNR2
SCHEMBL3399430 0.85 GCGR (0.33) TLR8KDM4ESTAT3
SCHEMBL2300213 0.85 CNR1 (0.34) KDM4EALDH1A1CNR2CNR1

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 4623/4885KDM4E 4841/4885ALDH1A1 3443/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 TLR8 4634/4885KDM4E 4848/4885ALDH1A1 3127/4885

“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.