SCHEMBL2723959

SCHEMBL2723959

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCN1C(=O)c2ccccc2C1=O)COC(=O)Nc1cc2cnccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAP4K1 Q92918 1/20 0.32
TSHR P16473 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 8/20 0.31
MAPK1 P28482 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
SCHEMBL211266 0.94 CTSK (0.34) LMNATSHRKMT2APOLBHTT
SCHEMBL212993 0.92 GRM5 (0.32) LMNATSHRKMT2APOLBHTT
SCHEMBL212992 0.92 GRM5 (0.32) LMNATSHRKMT2APOLBHTT
SCHEMBL212991 0.92 GRM5 (0.32) LMNATSHRKMT2APOLBHTT
SCHEMBL2723892 0.89 MAP4K1 (0.34) MAP4K1MAPK1
SCHEMBL212268 0.88 MAP4K1 (0.33) MAP4K1
SCHEMBL213918 0.88 SMN1; SMN2 (0.42) LMNATSHRKMT2APOLBHTT
SCHEMBL213917 0.88 SMN1; SMN2 (0.42) LMNATSHRKMT2APOLBHTT
SCHEMBL213919 0.88 SMN1; SMN2 (0.42) LMNATSHRKMT2APOLBHTT
SCHEMBL2726566 0.87 MAP4K1 (0.31) MAP4K1GPBAR1

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
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
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 LMNA 216/4885MAP4K1 1290/4885TSHR 3960/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885MAP4K1 1290/4885TSHR 3960/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 LMNA 216/4885MAP4K1 1290/4885TSHR 3960/4885

“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.