SCHEMBL212450

SCHEMBL212450

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
CDK9 P50750 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
WNT1 P04628 2/20 0.31
DNMT3A Q9Y6K1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
NTRK1 P04629 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
SCHEMBL211041 0.94 CCNT1 (0.36) CCNT1GSK3BDYRK1AMDM4MDM2
SCHEMBL4346889 0.92 ABL1 (0.31) GSK3BDYRK1AWNT1
SCHEMBL211884 0.91 CCNT1 (0.40) CCNT1GPR119TP53DNMT3A
SCHEMBL212451 0.89 CCNT1 (0.37) CCNT1GSK3BDYRK1AMDM4MDM2
SCHEMBL212274 0.88 ACHE (0.36) CCNT1GSK3BDYRK1AMDM4MDM2
SCHEMBL212677 0.88 GPR119 (0.37) CCNT1GSK3BDYRK1AMDM4MDM2
SCHEMBL4346941 0.85 ITGB3 (0.31)
SCHEMBL210996 0.85 GSK3B (0.33) GSK3BDYRK1ACDK9CYP3A4
SCHEMBL209633 0.85 ABL1 (0.34)
SCHEMBL211211 0.85 CCNT1 (0.38) CCNT1GPR119

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 7 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-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCNT1 3725/4885GSK3B 776/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CCNT1 3725/4885GSK3B 776/4885DYRK1A 4356/4885

“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.