SCHEMBL212267

SCHEMBL212267

CC(=O)N(CCON(C=O)c1nc2cccnc2s1)NCc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KARS1 Q15046 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK8 P45983 3/20 0.33
TP53 P04637 1/20 0.32
CHRM4 P08173 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL211174 0.82 SMN1; SMN2 (0.36) HPGDKDM4EKMT2AMEN1NPC1
SCHEMBL213948 0.81 SMN1; SMN2 (0.38) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL209925 0.81 CSNK1D (0.51) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL210169 0.80 RAD52 (0.41) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL209978 0.80 CSNK1D (0.49) TP53CSNK1D
SCHEMBL213647 0.80 GHSR (0.41) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL4347050 0.80 MAPT (0.38) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL210920 0.80 NPC1 (0.43) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL4344204 0.79 RAB9A (0.37) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL214821 0.79 CSNK1D (0.43) MAPTCNR1CNR2NPC1RAB9A

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 8 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
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
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 HPGD 1528/4885KDM4E 3281/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HPGD 1528/4885KDM4E 3281/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HPGD 1528/4885KDM4E 3281/4885MAPT 530/4885

“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.