SCHEMBL215186

SCHEMBL215186

CN(CCOC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 7/20 0.47
CSNK2A1 P68400 7/20 0.47
KDM4E B2RXH2 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RAB9A P51151 5/20 0.42
USP2 O75604 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2722122 0.94 KDM4E (0.48) CSNK2A2CSNK2A1KDM4ENPC1SMN1; SMN2
SCHEMBL2724503 0.91 BLM (0.47) CSNK2A2CSNK2A1KDM4ENPC1SMN1; SMN2
SCHEMBL210923 0.89 SMN1; SMN2 (0.46) KDM4ENPC1SMN1; SMN2HSD17B10HPGD
SCHEMBL211711 0.88 SMN1; SMN2 (0.50) KDM4ENPC1SMN1; SMN2HSD17B10HPGD
SCHEMBL212811 0.85 ALDH1A1 (0.44) KDM4ENPC1SMN1; SMN2HSD17B10HPGD
SCHEMBL4996564 0.82 SMN1; SMN2 (0.48) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2724178 0.82 RAB9A (0.48) KDM4ENPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2724176 0.82 KMT2A (0.42) KDM4ENPC1SMN1; SMN2HSD17B10HPGD
SCHEMBL210238 0.81 RAB9A (0.55) KDM4ENPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL2723424 0.81 KDM4E (0.46) KDM4ESMN1; SMN2HSD17B10HPGDALDH1A1

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 14 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
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 CSNK2A2 534/4885CSNK2A1 714/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885KDM4E 3281/4885

“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.