SCHEMBL4340744

SCHEMBL4340744

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.33
CCNK O75909 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CDK7 P50613 3/20 0.32
CCNH P51946 3/20 0.32
MNAT1 P51948 3/20 0.32
CDK12 Q9NYV4 3/20 0.32
DYRK1A Q13627 5/20 0.32
GSK3B P49841 4/20 0.32
LIPG Q9Y5X9 1/20 0.32
TP53 P04637 1/20 0.31
CCR3 P51677 1/20 0.31
WNT1 P04628 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CCNT1 O60563 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL211884 0.93 CCNT1 (0.40) LIPGTP53CCNT1
SCHEMBL4342593 0.92 CCNA2 (0.33) SIGMAR1CCNKCCNA2CDK2CDK7
SCHEMBL212841 0.91 DYRK1A (0.35) DYRK1AGSK3BLIPGWNT1
SCHEMBL4346889 0.91 ABL1 (0.31) DYRK1AGSK3BWNT1
SCHEMBL4340751 0.89 SIGMAR1 (0.33) SIGMAR1CCNKCCNA2CDK2CDK7
SCHEMBL2839468 0.87 DYRK1A (0.32) DYRK1AGSK3BLIPG
SCHEMBL209633 0.87 ABL1 (0.34)
SCHEMBL4346941 0.87 ITGB3 (0.31)
SCHEMBL211211 0.85 CCNT1 (0.38) CCNT1
SCHEMBL212238 0.84 P2RX4 (0.32)

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 SIGMAR1 1653/4885CCNK 2753/4885CCNA2 2182/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SIGMAR1 1653/4885CCNK 2753/4885CCNA2 2182/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SIGMAR1 1653/4885CCNK 2753/4885CCNA2 2182/4885

“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.