SCHEMBL2106355

SCHEMBL2106355

COCCNC(=O)c1csc(-c2cc[c]cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
ACKR3 P25106 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL3462544 0.79 HPGDS (0.54) HPGDSHPGDRAB9ANPC1POLB
SCHEMBL722692 0.75 HPGD (0.64) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL3462453 0.75 HPGD (0.45) HPGDCYP1A2CYP2C19RAB9ANPC1
SCHEMBL3436397 0.74 HPGD (0.68) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3436271 0.74 HPGD (0.66) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11114421 0.73 HPGD (0.67) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27138699 0.73 RAB9A (0.50) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL9329368 0.72 CYP2C9 (0.57) HPGDSHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL1416011 0.72 HPGD (0.61) HPGDRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3461226 0.72 HSD17B1 (0.48) HPGDSHPGDRAB9ANPC1POLB

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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGDS 1192/4885HPGD 2681/4885CYP1A2 4665/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 HPGDS 1047/4885HPGD 2517/4885CYP1A2 4636/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGDS 1192/4885HPGD 2681/4885CYP1A2 4665/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 HPGDS 1192/4885HPGD 2681/4885CYP1A2 4665/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 HPGDS 1192/4885HPGD 2681/4885CYP1A2 4665/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 HPGDS 1047/4885HPGD 2517/4885CYP1A2 4636/4885

“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.