SCHEMBL3675331

SCHEMBL3675331

CCCCCn1c(O)nc2nccc(C(=O)OC)c21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.44
TLR8 Q9NR97 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CNR1 P21554 3/20 0.39
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CNR2 P34972 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL3669343 0.86 ALDH1A1 (0.40) TLR8KDM4ENPSR1PDE4BCNR1
SCHEMBL2297790 0.76 PDE4B (0.46) TLR8KDM4ENPSR1PDE4BALDH1A1
SCHEMBL3670167 0.75 TLR8 (0.38) TLR8PDE4BALDH1A1HTT
SCHEMBL3672677 0.74 CASP1 (0.36) GRK6TLR8KDM4EPDE4BALDH1A1
SCHEMBL3394667 0.73 LMNA (0.41) GRK6TLR8ALDH1A1
SCHEMBL3669331 0.72 TLR8 (0.48) TLR8KDM4ENPSR1ALDH1A1CNR2
SCHEMBL3666998 0.70 KDM4E (0.35) GRK6TLR8KDM4EPDE4APDE4B
SCHEMBL4105471 0.68 GRK6 (0.48) GRK6TLR8KDM4EMAPK1NPSR1
SCHEMBL28814096 0.68 GRK6 (0.44) GRK6TLR8KDM4EMAPK1NPSR1
SCHEMBL2301220 0.68 AGTR1 (0.42)

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 GRK6 3549/4885TLR8 4672/4885KDM4E 4360/4885

“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.