SCHEMBL4354879

SCHEMBL4354879

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)O)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.32
ITGAV P06756 4/20 0.32
CCNK O75909 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
MNAT1 P51948 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CTSK P43235 1/20 0.31
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
P2RX4 Q99571 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4346941 0.94 ITGB3 (0.31) ITGB3ITGAV
SCHEMBL4351837 0.93 CCNK (0.32) ITGB3ITGAVCCNKCCNA2CDK2
SCHEMBL212274 0.92 ACHE (0.36) TRPV1
SCHEMBL210223 0.90 CTSK (0.34) CTSKP2RX4MAPT
SCHEMBL211204 0.89 PKM (0.32)
SCHEMBL4354883 0.88 CTSK (0.32) ITGB3ITGAVCCNKCCNA2CDK2
SCHEMBL210797 0.88 PKM (0.32)
SCHEMBL209966 0.88 CTSK (0.34) CTSKP2RX4MAPT
SCHEMBL4344351 0.87 ITGB3 (0.32) ITGB3ITGAV
SCHEMBL4346889 0.87 ABL1 (0.31) P2RX4

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-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-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 ITGB3 538/4885ITGAV 1885/4885CCNK 2753/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITGB3 538/4885ITGAV 1885/4885CCNK 2753/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITGB3 538/4885ITGAV 1885/4885CCNK 2753/4885

“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.