SCHEMBL4279795

SCHEMBL4279795

COc1ccc(-c2ccc[c]c2OC)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
JAK2 O60674 1/20 0.45
NNMT P40261 1/20 0.41
TDO2 P48775 1/20 0.41
FYN P06241 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
OXTR P30559 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CYP19A1 P11511 2/20 0.40
KCNH2 Q12809 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL4276321 0.86 PDE10A (0.43) CYP2A6MKNK1MKNK2TDO2
SCHEMBL4274541 0.84 JAK2 (0.48) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL28140406 0.77 ABL1 (0.49) FYN
SCHEMBL7953803 0.76 MKNK1 (0.46) CYP2A6MKNK1MKNK2FYNCYP19A1
SCHEMBL1646811 0.75 ABL1 (0.50)
SCHEMBL9151380 0.75 ACHE (0.35) L3MBTL1
SCHEMBL3535486 0.74 ALDH1A1 (0.39) CYP2A6L3MBTL1
SCHEMBL38536 0.74 CYP2A6 (0.49) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL1490970 0.73 SLC6A3 (0.41) JAK2
SCHEMBL6985969 0.73 SLC6A4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CYP2A6 4598/4885MKNK1 1006/4885MKNK2 832/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP2A6 4642/4885MKNK1 1033/4885MKNK2 824/4885

“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.