SCHEMBL2846576

SCHEMBL2846576

CN(Cc1cccc(F)c1Cl)C(COC(=O)Nc1cc2ccccc2cn1)CC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CTSK P43235 1/20 0.34
ABL1 P00519 7/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.32
ITK Q08881 1/20 0.32
NLRP3 Q96P20 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MTOR P42345 1/20 0.31
SYK P43405 1/20 0.30
GCK P35557 1/20 0.30
WNT3A P56704 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
SCHEMBL2728662 1.00 NOTUM (0.36) NOTUMTDP1CTSKABL1ALDH1A1
SCHEMBL2873459 1.00 NOTUM (0.36) NOTUMTDP1CTSKABL1ALDH1A1
SCHEMBL2846571 1.00 NOTUM (0.36) NOTUMTDP1CTSKABL1ALDH1A1
SCHEMBL2730450 1.00 NOTUM (0.36) NOTUMTDP1CTSKABL1ALDH1A1
SCHEMBL2726633 0.93 ABL1 (0.34) NOTUMTDP1ABL1EGFRITK
SCHEMBL2843057 0.93 ABL1 (0.34) NOTUMTDP1ABL1EGFRITK
SCHEMBL2843058 0.93 ABL1 (0.34) NOTUMTDP1ABL1EGFRITK
SCHEMBL2843154 0.92 NOTUM (0.34) NOTUMTDP1CTSKABL1ALDH1A1
SCHEMBL2727999 0.92 NOTUM (0.37) NOTUMTDP1CTSKABL1NLRP3
SCHEMBL2844956 0.92 NOTUM (0.37) NOTUMTDP1CTSKABL1NLRP3

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 7 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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 NOTUM 2164/4885TDP1 1077/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885TDP1 1077/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885TDP1 1077/4885CTSK 1455/4885

“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.