SCHEMBL3394667

SCHEMBL3394667

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(C(=O)OC)c3)c21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CDK8 P49336 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TGFBR1 P36897 1/20 0.38
TLR8 Q9NR97 2/20 0.37
MAPT P10636 1/20 0.37
GRK6 P43250 2/20 0.37
PAK1 Q13153 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM2 Q14416 1/20 0.36
DHFR P00374 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL2300026 0.90 PTPN11 (0.41)
SCHEMBL2298970 0.85 TLR8 (0.44) TLR8MAPTTLR7
SCHEMBL2302606 0.84 GCGR (0.40) TLR8ALDH1A1
SCHEMBL2302534 0.84 TLR8 (0.44) TLR8MAPTDHFRGABRG2GABRB3
SCHEMBL2300121 0.83 TGFBR1 (0.36) TGFBR1TLR8TLR7GABRG2GABRB3
SCHEMBL2298814 0.83 KDM4E (0.42) TLR8MAPTALDH1A1
SCHEMBL2297862 0.82 JAK1 (0.42) NR1H2NR1H3GRM2SIRT2
SCHEMBL2300092 0.82 NR1H2 (0.36) CDK8NR1H2NR1H3TGFBR1TLR8
SCHEMBL2297981 0.81 PIM1 (0.39)
SCHEMBL3394660 0.81 CDK8 (0.41) CDK8NR1H2NR1H3TGFBR1PAK1

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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 LMNA 392/4885CDK8 2492/4885NR1H2 3171/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 LMNA 409/4885CDK8 2523/4885NR1H2 2883/4885

“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.