SCHEMBL210238

SCHEMBL210238

CN(CCOC(=O)Nc1nc2ccccc2s1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
STAT1 P42224 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
CSNK1D P48730 3/20 0.46
UBE2N P61088 1/20 0.44
MAPK1 P28482 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MEN1 O00255 3/20 0.43

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
SCHEMBL209776 0.91 CSNK1D (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2722984 0.91 CSNK1D (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2722965 0.89 CSNK1D (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2721548 0.89 CSNK1D (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2722236 0.89 CSNK1D (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2724495 0.88 CSNK1D (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2722094 0.88 NPC1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL211273 0.88 MAPT (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2721534 0.87 CSNK1D (0.62) CSNK1DDYRK1A
SCHEMBL2724480 0.87 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CSNK1D

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 16 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
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
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
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 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885

“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.