SCHEMBL2990539

SCHEMBL2990539

N#Cc1ccc2nc(-c3ccc(O)cc3)c(NCc3ccc(F)cc3)n2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.57
TRIM33 Q9UPN9 5/20 0.53
TRIM24 O15164 2/20 0.47
PLAU P00749 1/20 0.46
KDM4E B2RXH2 4/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
PIM1 P11309 1/20 0.43
POLB P06746 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
SCHEMBL2983493 0.88 NR1H4 (0.65) NR1H4PLAUKDM4EGAAALDH1A1
SCHEMBL2990349 0.84 KDM4E (0.52) NR1H4TRIM33TRIM24PLAUKDM4E
SCHEMBL2988806 0.84 NR1H4 (0.80) NR1H4GAAMAPTPOLB
SCHEMBL2977922 0.84 GAA (0.62) NR1H4PLAUKDM4EGAAALDH1A1
SCHEMBL2988832 0.83 NR1H4 (0.68) NR1H4PLAUKDM4EGAAALDH1A1
SCHEMBL2986724 0.82 NR1H4 (0.58) NR1H4PLAUKDM4EGAAALDH1A1
SCHEMBL2992416 0.79 KDM4E (0.66) NR1H4TRIM33PLAUKDM4EGAA
SCHEMBL2982973 0.75 ALDH1A1 (0.68) NR1H4KDM4EGAAALDH1A1MAPT
SCHEMBL2987957 0.74 ALDH1A1 (0.54) NR1H4PLAUKDM4EGAAALDH1A1
SCHEMBL2990330 0.74 KDM4E (0.56) NR1H4PLAUKDM4EGAAALDH1A1

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
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 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 (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 NR1H4 4747/4885TRIM33 1063/4885TRIM24 868/4885

“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.