SCHEMBL213535

SCHEMBL213535

CN(Cc1cccc(F)c1Cl)[C@@H](COC(=O)Nc1cc2ccccc2cn1)C[C@@H](O)COP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.36
NOTUM Q6P988 1/20 0.34
DYRK1A Q13627 3/20 0.33
GSK3B P49841 2/20 0.33
WNT1 P04628 1/20 0.33
GCK P35557 3/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 3/20 0.31
MTOR P42345 1/20 0.30
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
ANO1 Q5XXA6 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
SCHEMBL213534 1.00 PIN1 (0.36) PIN1NOTUMDYRK1AGSK3BWNT1
SCHEMBL211242 1.00 PIN1 (0.36) PIN1NOTUMDYRK1AGSK3BWNT1
SCHEMBL211244 1.00 PIN1 (0.36) PIN1NOTUMDYRK1AGSK3BWNT1
SCHEMBL211243 1.00 PIN1 (0.36) PIN1NOTUMDYRK1AGSK3BWNT1
SCHEMBL2843154 0.95 NOTUM (0.34) PIN1NOTUMDYRK1AGSK3BWNT1
SCHEMBL2726925 0.94 ABL1 (0.33) PIN1DYRK1AGSK3BWNT1ABL1
SCHEMBL2836551 0.94 ABL1 (0.33) PIN1DYRK1AGSK3BWNT1ABL1
SCHEMBL212435 0.94 ABL1 (0.33) PIN1DYRK1AGSK3BWNT1ABL1
SCHEMBL212436 0.94 ABL1 (0.33) PIN1DYRK1AGSK3BWNT1ABL1
SCHEMBL212437 0.94 ABL1 (0.33) PIN1DYRK1AGSK3BWNT1ABL1

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-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 PIN1 4267/4885NOTUM 2164/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885NOTUM 2164/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PIN1 4267/4885NOTUM 2164/4885DYRK1A 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.