SCHEMBL4020620

SCHEMBL4020620

Cc1cccc(C2C(C(=O)c3ccccc3)CN(CC(N)=O)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.37
KIF11 P52732 1/20 0.36
RORC P51449 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB1 P08183 4/20 0.35
SIRT1 Q96EB6 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4020619 1.00 GRIN2B (0.37) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4021208 0.91 GRIN2B (0.38) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4022415 0.91 GRIN2B (0.38) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4021213 0.91 GRIN2B (0.38) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4024526 0.87 KIF11 (0.37) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4020344 0.87 KIF11 (0.37) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4020347 0.87 KIF11 (0.37) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4020618 0.87 KIF11 (0.41) GRIN2BKIF11RORCUSP2ALDH1A1
SCHEMBL4028188 0.86 MEN1 (0.38) GRIN2BKIF11RORCALDH1A1LMNA
SCHEMBL4028145 0.86 MEN1 (0.38) GRIN2BKIF11RORCALDH1A1LMNA

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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 (1 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 GRIN2B 4170/4885KIF11 3745/4885RORC 183/4885

“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.