SCHEMBL3198593

SCHEMBL3198593

CCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccncn3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN8A Q9UQD0 2/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAOK1 Q7L7X3 1/20 0.38
CXCR2 P25025 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CDK6 Q00534 1/20 0.36

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
SCHEMBL3199774 0.93 SCN1A (0.43) KDM4ESCN1ASCN5ASCN8ACDK5
SCHEMBL402703 0.87 SMN1; SMN2 (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL3198384 0.86 FAAH (0.46) KDM4ESCN1ASCN5ASCN8ACDK5
SCHEMBL402811 0.82 NPC1 (0.45) KDM4EALDH1A1MEN1KMT2AFAAH
SCHEMBL14417408 0.81 NPC1 (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL3198622 0.81 NPC1 (0.46) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4000775 0.80 NPC1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4252553 0.79 NPC1 (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL398876 0.79 SMN1; SMN2 (0.47) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL3196708 0.76 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 KDM4E 2547/4885SCN1A 2620/4885SCN5A 1312/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 KDM4E 2547/4885SCN1A 2620/4885SCN5A 1312/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 KDM4E 2547/4885SCN1A 2620/4885SCN5A 1312/4885

“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.