SCHEMBL2296228

SCHEMBL2296228

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccn(C)n3)c21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
AURKA O14965 1/20 0.33
RET P07949 1/20 0.32
MAPK10 P53779 1/20 0.31
TLR8 Q9NR97 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL2298083 0.85 TLR8 (0.37) TLR8KDM4EMEN1ALDH1A1GAA
SCHEMBL2297637 0.85 FLT3 (0.36) TLR8KDM4EALDH1A1
SCHEMBL2296013 0.84 AXL (0.35) CYP19A1TLR8ALDH1A1KMT2A
SCHEMBL2300511 0.83 TYRO3 (0.35) TLR8
SCHEMBL2298187 0.83 TLR8 (0.37) RETTLR8KDM4EMEN1ALDH1A1
SCHEMBL2295297 0.83 TLR8 (0.30) TLR8
SCHEMBL2296102 0.83 SIK2 (0.35) RETTLR8MEN1KMT2A
SCHEMBL2298814 0.82 KDM4E (0.42) TLR8KDM4EALDH1A1GAA
SCHEMBL2299677 0.82 ESR1 (0.38) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL2300694 0.82 TLR8 (0.39) TLR8KDM4EMEN1ALDH1A1KMT2A

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-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 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 (1 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 CYP19A1 3949/4885AURKA 3816/4885RET 585/4885

“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.