SCHEMBL3669640

SCHEMBL3669640

CCCCCn1c(O)nc2ncc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
PTGER4 P35408 1/20 0.36
TLR8 Q9NR97 3/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITK Q08881 1/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
SCHEMBL3666488 0.87 ALDH1A1 (0.37) HRH4TLR8KDM4EALDH1A1GAA
SCHEMBL3666995 0.86 TLR8 (0.34) TLR8KDM4EALDH1A1GAAMEN1
SCHEMBL3669397 0.82 ALDH1A1 (0.41) TLR8KDM4EALDH1A1GAAMEN1
SCHEMBL3671478 0.82 TLR8 (0.45) HRH4TLR8KDM4EALDH1A1GAA
SCHEMBL3666329 0.80 TLR8 (0.37) HRH4TLR8KDM4EALDH1A1GAA
SCHEMBL3668582 0.80 TLR8 (0.37) TLR8KDM4EALDH1A1GAAMEN1
SCHEMBL3668135 0.80 TLR8 (0.37) HRH4TLR8KDM4EALDH1A1GAA
SCHEMBL3678311 0.80 PSEN1 (0.40) TLR8KDM4EALDH1A1GAAMEN1
SCHEMBL3672331 0.79 PDE6A (0.42) TLR8KDM4EALDH1A1GAAMEN1
SCHEMBL3667095 0.79 PSEN1 (0.39) HRH4TLR8KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed

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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 HRH4 4875/4885PTGER4 2978/4885TLR8 4672/4885

“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.