SCHEMBL2722183

SCHEMBL2722183

Cc1ccc2nc(NC(=O)OC[C@H](CC(C)C)N(C)C(=O)NCc3ccccc3Cl)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.47
PTPN1 P18031 1/20 0.43
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
MAPT P10636 2/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TP53 P04637 3/20 0.42
MAOB P27338 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2723486 0.92 CSNK1D (0.48) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL213094 0.91 CSNK1D (0.47) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL2721572 0.89 CSNK1D (0.48) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL2721686 0.87 CSNK1D (0.43) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL2727518 0.82 TRPV1 (0.41) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL209776 0.82 CSNK1D (0.51) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL211264 0.81 CSNK1D (0.42) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2723497 0.80 CSNK1D (0.43) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2722065 0.79 CSNK1D (0.41) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL213093 0.79 CSNK1D (0.47) CSNK1DPTPN1NPC1RAB9AMAPT

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 9 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
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN 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 CSNK1D 754/4885PTPN1 606/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885PTPN1 606/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885PTPN1 606/4885NPC1 4684/4885

“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.