SCHEMBL2298555

SCHEMBL2298555

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(C#N)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.37
CYP11B2 P19099 2/20 0.33
PLAU P00749 1/20 0.33
CNR1 P21554 3/20 0.32
EGLN1 Q9GZT9 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD11B1 P28845 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
KDM1A O60341 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
SCHEMBL2299654 0.89 USP7 (0.40) PLAUEGLN1CYP3A4
SCHEMBL2300689 0.88 USP7 (0.34) CNR1CYP3A4
SCHEMBL2299674 0.88 USP7 (0.35)
SCHEMBL2297568 0.86 USP7 (0.32) PLAU
SCHEMBL2297601 0.85 RECQL (0.34)
SCHEMBL3399378 0.85 CYP11B2 (0.39) CYP11B2KDM1A
SCHEMBL3399425 0.84 FYN (0.32)
SCHEMBL2300000 0.84 MYC (0.33)
SCHEMBL2298471 0.84 L3MBTL1 (0.33)
SCHEMBL2298205 0.83 AURKA (0.32)

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 8 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-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 AR 3167/4885CYP11B2 1757/4885PLAU 2097/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 AR 2960/4885CYP11B2 1309/4885PLAU 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.