SCHEMBL2299654

SCHEMBL2299654

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3cccc(C#N)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.40
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
CNR2 P34972 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ADORA2A P29274 1/20 0.35
RORC P51449 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2298555 0.89 AR (0.37) PLAUEGLN1CYP3A4
SCHEMBL2302530 0.86 DHFR (0.37) USP7CNR2EGLN1MEN1CYP1A2
SCHEMBL2297601 0.85 RECQL (0.34) USP7ADORA2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2297388 0.84 JAK2 (0.38) EGLN1
SCHEMBL2302273 0.84 AR (0.37) USP7PLAUEGLN1CYP3A4
SCHEMBL2295970 0.83 GRM5 (0.34) KCNH2ALDH1A1HPGD
SCHEMBL3398945 0.82 CDK8 (0.34) PLGPLAU
SCHEMBL2298966 0.82 JAK2 (0.40) PLAUADORA2ACLK4ALDH1A1SMN1; SMN2
SCHEMBL3399378 0.82 CYP11B2 (0.39)
SCHEMBL3397374 0.82 NR1H2 (0.37) KCNH2

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
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-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 USP7 3474/4885PLG 848/4885PLAU 2097/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885PLG 728/4885PLAU 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.