SCHEMBL212436

SCHEMBL212436

CN(Cc1cccc(F)c1Cl)[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)C[C@@H](O)COP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.33
PIN1 Q13526 1/20 0.32
DYRK1A Q13627 3/20 0.32
GSK3B P49841 2/20 0.32
WNT1 P04628 1/20 0.32

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
SCHEMBL2726925 1.00 ABL1 (0.33) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL212435 1.00 ABL1 (0.33) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL2836551 1.00 ABL1 (0.33) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL212437 1.00 ABL1 (0.33) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL211244 0.94 PIN1 (0.36) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL213534 0.94 PIN1 (0.36) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL213535 0.94 PIN1 (0.36) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL211242 0.94 PIN1 (0.36) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL211243 0.94 PIN1 (0.36) ABL1PIN1DYRK1AGSK3BWNT1
SCHEMBL2726633 0.93 ABL1 (0.34) ABL1DYRK1AGSK3BWNT1

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 5 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-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 ABL1 956/4885PIN1 4267/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885PIN1 4267/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885PIN1 4267/4885DYRK1A 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.