SCHEMBL3398945

SCHEMBL3398945

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3cccc(CN)c3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.34
BACE1 P56817 1/20 0.32
PLAU P00749 4/20 0.32
PLG P00747 2/20 0.32
PLAT P00750 2/20 0.32
AURKA O14965 1/20 0.32
SLC2A1 P11166 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
ABL1 P00519 1/20 0.31
IKBKB O14920 2/20 0.31
CHUK O15111 2/20 0.31
KARS1 Q15046 1/20 0.31
PNMT P11086 1/20 0.31
ENPP2 Q13822 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
FFAR1 O14842 3/20 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
SCHEMBL2300085 0.91 NR1H2 (0.37) CDK8AURKASLC2A1AURKBINCENP
SCHEMBL2300115 0.88 TGFBR1 (0.35) FFAR1
SCHEMBL2302602 0.87 ESR1 (0.36) AURKA
SCHEMBL2302530 0.87 DHFR (0.37) BACE1
SCHEMBL2297601 0.86 RECQL (0.34) BACE1
SCHEMBL2297388 0.85 JAK2 (0.38)
SCHEMBL2297424 0.84 AURKA (0.43) BACE1AURKAAURKBIKBKBCHUK
SCHEMBL2299833 0.84 PDE4B (0.38) CDK8
SCHEMBL16503262 0.83 PIK3CA (0.31)
SCHEMBL2298966 0.83 JAK2 (0.40) PLAUAURKA

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 5 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-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 CDK8 2492/4885BACE1 1547/4885PLAU 2097/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CDK8 2523/4885BACE1 1587/4885PLAU 2183/4885

“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.