SCHEMBL3672331

SCHEMBL3672331

CCCCCn1c(O)nc2ncc(CO)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6A P16499 2/20 0.42
PDE6B P35913 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE1C Q14123 2/20 0.42
TLR8 Q9NR97 7/20 0.36
PGR P06401 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 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
SCHEMBL3678311 0.90 PSEN1 (0.40) PDE6APDE6BPDE1APDE1BPDE4D
SCHEMBL3667630 0.89 SMN1; SMN2 (0.39) TLR8ALDH1A1KDM4EMEN1GAA
SCHEMBL3670686 0.89 TLR8 (0.36) PDE6APDE6BPDE1APDE1BPDE4D
SCHEMBL3670784 0.86 TLR8 (0.34) PDE6APDE6BPDE1APDE1BPDE4D
SCHEMBL3671478 0.85 TLR8 (0.45) PDE6APDE6BPDE1APDE1BPDE4D
SCHEMBL3669397 0.85 ALDH1A1 (0.41) TLR8ALDH1A1KDM4EMEN1GAA
SCHEMBL3670853 0.84 PLA2G2A (0.40) TLR8KDM4E
SCHEMBL3668135 0.82 TLR8 (0.37) TLR8ALDH1A1KDM4EMEN1GAA
SCHEMBL3666329 0.82 TLR8 (0.37) TLR8PGRALDH1A1KDM4EMEN1
SCHEMBL3668582 0.82 TLR8 (0.37) TLR8ALDH1A1KDM4EMEN1GAA

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 PDE6A 2308/4885PDE6B 2629/4885PDE1A 644/4885

“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.