SCHEMBL211884

SCHEMBL211884

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
TP53 P04637 3/20 0.36
GPR119 Q8TDV5 4/20 0.36
LMNA P02545 1/20 0.36
HPGDS O60760 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
IDO1 P14902 1/20 0.34
MAPK8 P45983 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4340744 0.93 SIGMAR1 (0.33) CCNT1TP53LIPG
SCHEMBL211211 0.92 CCNT1 (0.38) CCNT1GPR119MAPK8
SCHEMBL212450 0.91 CCNT1 (0.37) CCNT1TP53GPR119DNMT3A
SCHEMBL211885 0.90 CCNT1 (0.40) CCNT1TP53GPR119LMNAHPGDS
SCHEMBL212841 0.88 DYRK1A (0.35) LIPG
SCHEMBL211041 0.87 CCNT1 (0.36) CCNT1TP53GPR119DNMT3A
SCHEMBL4342593 0.86 CCNA2 (0.33) TP53
SCHEMBL210996 0.85 GSK3B (0.33)
SCHEMBL2839468 0.84 DYRK1A (0.32) LIPG
SCHEMBL4346889 0.84 ABL1 (0.31)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCNT1 3725/4885TP53 2206/4885GPR119 1271/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885TP53 2206/4885GPR119 1271/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885TP53 2206/4885GPR119 1271/4885

“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.