SCHEMBL3665846

SCHEMBL3665846

CCCCCn1c(O)nc2nc(C)c(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6B P35913 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
TP53 P04637 3/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3669611 0.86 KDM4E (0.38) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3671478 0.79 TLR8 (0.45) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3669522 0.78 ALDH1A1 (0.38) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3669094 0.78 KDM4E (0.39) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3674771 0.78 TLR8 (0.43) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3669397 0.77 ALDH1A1 (0.41) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3666329 0.74 TLR8 (0.37) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3678311 0.74 PSEN1 (0.40) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3668135 0.74 TLR8 (0.37) TLR8ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3668582 0.74 TLR8 (0.37) TLR8ALDH1A1GAASMN1; SMN2KDM4E

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 6 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
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (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 TLR8 4672/4885ALDH1A1 4750/4885GAA 939/4885

“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.