SCHEMBL9607919

SCHEMBL9607919

Cc1c(F)cccc1CNC(=O)N(C)[C@@H](CCC(=O)N1CCNCC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.34
GSK3B P49841 6/20 0.34
SYK P43405 1/20 0.33
REN P00797 7/20 0.33
ABL1 P00519 4/20 0.32
WNT1 P04628 3/20 0.32
BDKRB1 P46663 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
SCHEMBL2725885 0.94 DYRK1A (0.34) DYRK1AGSK3BSYKABL1WNT1
SCHEMBL212139 0.93 DYRK1A (0.34) DYRK1AGSK3BSYKABL1WNT1
SCHEMBL212140 0.93 DYRK1A (0.34) DYRK1AGSK3BSYKABL1WNT1
SCHEMBL212138 0.93 DYRK1A (0.34) DYRK1AGSK3BSYKABL1WNT1
SCHEMBL2758985 0.93 ABL1 (0.38) DYRK1AGSK3BABL1WNT1
SCHEMBL2727388 0.88 NTRK1 (0.34) DYRK1AGSK3BSYKRENABL1
SCHEMBL2727295 0.88 DYRK1A (0.35) DYRK1AGSK3BSYKABL1WNT1
SCHEMBL10278364 0.87 ABL1 (0.34) ABL1
SCHEMBL212336 0.87 SYK (0.33) DYRK1AGSK3BSYKRENBDKRB1
SCHEMBL212335 0.87 SYK (0.33) DYRK1AGSK3BSYKRENBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DYRK1A 4356/4885GSK3B 776/4885SYK 2120/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885GSK3B 776/4885SYK 2120/4885

“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.