SCHEMBL210646

SCHEMBL210646

CN(C(=O)NCc1cccc(F)c1Cl)C(COCC(O)COP(=O)(O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.34
P2RX7 Q99572 1/20 0.32
NOTUM Q6P988 1/20 0.31
CTSK P43235 1/20 0.31
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL210858 1.00 PIN1 (0.34) PIN1P2RX7NOTUMCTSKWNT1
SCHEMBL213115 1.00 PIN1 (0.34) PIN1P2RX7NOTUMCTSKWNT1
SCHEMBL211963 0.99 PIN1 (0.33) PIN1P2RX7NOTUMCTSKWNT1
SCHEMBL211962 0.99 PIN1 (0.33) PIN1P2RX7NOTUMCTSKWNT1
SCHEMBL211938 0.93 PIN1 (0.34) PIN1NOTUMCTSKWNT1GSK3B
SCHEMBL210015 0.93 PIN1 (0.34) PIN1NOTUMCTSKWNT1GSK3B
SCHEMBL2728181 0.93 PIN1 (0.39) PIN1NOTUMCTSKWNT1GSK3B
SCHEMBL211937 0.93 PIN1 (0.34) PIN1NOTUMCTSKWNT1GSK3B
SCHEMBL211744 0.93 PIN1 (0.39) PIN1NOTUMCTSKWNT1GSK3B
SCHEMBL211504 0.93 PIN1 (0.34) PIN1NOTUMCTSKWNT1GSK3B

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-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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (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 PIN1 4267/4885P2RX7 1556/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885P2RX7 1556/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885P2RX7 1556/4885NOTUM 2164/4885

“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.