SCHEMBL2296311

SCHEMBL2296311

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(NC(C)=O)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
PRNP P04156 1/20 0.36
GAA P10253 1/20 0.36
DYRK1B Q9Y463 2/20 0.35
ADORA2B P29275 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
UBE2N P61088 1/20 0.35
PAX8 Q06710 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL2296324 0.86 VHL (0.36) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL2300689 0.85 USP7 (0.34) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2299674 0.85 USP7 (0.35) CDK2
SCHEMBL2297568 0.84 USP7 (0.32) HTTKDM4E
SCHEMBL2299181 0.83 USP7 (0.38) ADORA2BADORA2A
SCHEMBL2298963 0.82 MAPK14 (0.35) ALDH1A1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL2298205 0.81 AURKA (0.32)
SCHEMBL2298087 0.80 HEXA (0.34) GABRA2GABRB2DYRK1BCDK2DYRK1A
SCHEMBL2296316 0.80 ADORA2B (0.39) ALDH1A1GABRA2GABRB2L3MBTL1SMN1; SMN2
SCHEMBL2297424 0.80 AURKA (0.43) L3MBTL1CDK2

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 ALDH1A1 3443/4885GABRA2 3201/4885GABRB2 2710/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ALDH1A1 3127/4885GABRA2 3290/4885GABRB2 2740/4885

“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.