SCHEMBL3667597

SCHEMBL3667597

CCCCCn1c(O)nc2ncc(Cl)c(I)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3668665 0.86 TLR8 (0.34) TLR8MEN1KMT2ANPC1KDM4E
SCHEMBL3668281 0.86 NUDT1 (0.35)
SCHEMBL3670329 0.85 TLR8 (0.34) TLR8MEN1KMT2AKDM4EALDH1A1
SCHEMBL3670605 0.84 CNR2 (0.34) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL3676625 0.83 TLR8 (0.32) TLR8
SCHEMBL3666912 0.82 HTT (0.32) TLR8MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3675320 0.81 TLR8 (0.31) TLR8
SCHEMBL3670906 0.81 TLR7 (0.32) TLR8
SCHEMBL3666998 0.81 KDM4E (0.35) TLR8MEN1KMT2ANPC1KDM4E
SCHEMBL3675907 0.81 HPGD (0.37) TLR8MEN1KMT2AKDM4EALDH1A1

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 8 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
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO 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 4672/4885MEN1 3647/4885KMT2A 3851/4885

“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.