SCHEMBL2990344

SCHEMBL2990344

CN(C)CCNC(=O)c1ccc2nc(-c3ccccc3O)c(NCc3ccc(F)cc3)n2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.45
NR1H4 Q96RI1 4/20 0.45
SIRT1 Q96EB6 1/20 0.44
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACKR3 P25106 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL2990456 0.86 SIRT1 (0.50) PLAUNR1H4SIRT1DRD2
SCHEMBL2992286 0.84 NR1H4 (0.53) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2987078 0.83 TRIM33 (0.56) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2979539 0.83 PLAU (0.54) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2992175 0.78 SIRT1 (0.54) PLAUNR1H4SIRT1
SCHEMBL2992120 0.78 NR1H4 (0.52) PLAUNR1H4SIRT1
SCHEMBL2982216 0.77 SIRT1 (0.68) PLAUNR1H4SIRT1GAA
SCHEMBL2988125 0.77 NR1H4 (0.54) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2993500 0.76 NR1H4 (0.52) PLAUNR1H4SIRT1
SCHEMBL2983519 0.75 SIRT1 (0.46) PLAUNR1H4SIRT1TRIM24TRIM33

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (1 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 PLAU 2493/4885NR1H4 4747/4885SIRT1 2093/4885

“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.