SCHEMBL209776

SCHEMBL209776

Cc1ccc2nc(NC(=O)OCCN(C)C(=O)NCc3ccccc3Cl)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.51
PTPN1 P18031 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 2/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 2/20 0.46
DYRK1A Q13627 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT1 P42224 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2722965 0.91 CSNK1D (0.46) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2722984 0.91 CSNK1D (0.47) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL210238 0.91 RAB9A (0.55) CSNK1DNPC1RAB9AMAPTHTT
SCHEMBL2721548 0.91 CSNK1D (0.64) CSNK1DNPC1RAB9AMAPTHTT
SCHEMBL211696 0.90 NPC1 (0.53) CSNK1DPTPN1NPC1RAB9AMAPT
SCHEMBL2724495 0.90 CSNK1D (0.47) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2721534 0.89 CSNK1D (0.62) CSNK1DDYRK1A
SCHEMBL2724480 0.89 ALDH1A1 (0.53) CSNK1DNPC1RAB9AMAPTHTT
SCHEMBL2722236 0.89 CSNK1D (0.45) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2721555 0.88 CSNK1D (0.54) CSNK1DNPC1RAB9AMAPTSMN1; SMN2

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 15 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-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-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-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-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-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
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.