SCHEMBL2298084

SCHEMBL2298084

OCCCn1c(O)nc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
RIPK3 Q9Y572 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
MET P08581 3/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MEN1 O00255 1/20 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
SCHEMBL2299443 0.89 TLR8 (0.38) RIPK3MAPT
SCHEMBL2297842 0.88 GLA (0.39) MAPK14MAPTTSHRMETMEN1
SCHEMBL3393958 0.81 MAPT (0.38) MAPTMETMEN1RAB9AKMT2A
SCHEMBL2297859 0.81 TSHR (0.36) TSHRMEN1KMT2A
SCHEMBL2299426 0.80 MEN1 (0.34) MAPK14MAPTMETMEN1RAB9A
SCHEMBL3399600 0.79 HSD11B1 (0.34) MAPK14MAPTTSHRMEN1RAB9A
SCHEMBL2299677 0.79 ESR1 (0.38) MAPTMEN1RAB9AKMT2AUSP7
SCHEMBL2300694 0.79 TLR8 (0.39) MAPTMEN1KMT2AUSP7
SCHEMBL3399430 0.79 GCGR (0.33) MAPTRAB9A
SCHEMBL2297571 0.78 TLR8 (0.37) MAPT

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
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
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 MAPK14 2060/4885RIPK3 1077/4885HSP90AA1 715/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 MAPK14 2047/4885RIPK3 1098/4885HSP90AA1 610/4885

“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.