SCHEMBL3671478

SCHEMBL3671478

CCCCCn1c(O)nc2ncc(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.37
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE1C Q14123 3/20 0.37
PDE6A P16499 1/20 0.37
PDE6B P35913 1/20 0.37
CNR2 P34972 2/20 0.36
HRH4 Q9H3N8 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
SCHEMBL3669397 0.88 ALDH1A1 (0.41) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3666329 0.86 TLR8 (0.37) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3668582 0.86 TLR8 (0.37) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3678311 0.86 PSEN1 (0.40) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3668135 0.86 TLR8 (0.37) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3670686 0.85 TLR8 (0.36) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3672331 0.85 PDE6A (0.42) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3667095 0.85 PSEN1 (0.39) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3670730 0.85 TLR8 (0.36) TLR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3667630 0.85 SMN1; SMN2 (0.39) TLR8ALDH1A1MEN1KMT2AKDM4E

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 4750/4885MEN1 3647/4885

“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.