SCHEMBL2758985

SCHEMBL2758985

Cc1c(F)cccc1CNC(=O)N(C)[C@@H](CCC(=O)N1CCN(C)CC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.38
DDR1 Q08345 1/20 0.36
DDR2 Q16832 1/20 0.36
DYRK1A Q13627 14/20 0.35
GSK3B P49841 13/20 0.35
WNT1 P04628 2/20 0.34
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CHRM3 P20309 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
SCHEMBL9607919 0.93 DYRK1A (0.34) ABL1DYRK1AGSK3BWNT1
SCHEMBL10278364 0.89 ABL1 (0.34) ABL1
SCHEMBL4344353 0.89 MET (0.32) ABL1DYRK1AGSK3BWNT1
SCHEMBL4346944 0.88 ITGB3 (0.31) ABL1
SCHEMBL2725885 0.87 DYRK1A (0.34) ABL1DYRK1AGSK3BWNT1NTRK1
SCHEMBL2728456 0.87 CCKBR (0.33) ABL1DDR1DDR2DYRK1AGSK3B
SCHEMBL2838079 0.86 GSK3B (0.31) DYRK1AGSK3B
SCHEMBL212678 0.86 GPR119 (0.38) DYRK1AGSK3BWNT1
SCHEMBL212139 0.86 DYRK1A (0.34) ABL1DYRK1AGSK3BWNT1NTRK1
SCHEMBL212140 0.86 DYRK1A (0.34) ABL1DYRK1AGSK3BWNT1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 956/4885DDR1 2680/4885DDR2 2024/4885

“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.