SCHEMBL4274541

SCHEMBL4274541

COc1ccc(-c2ccc[c]c2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
CYP2A6 P11509 2/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 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
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
SCHEMBL4279795 0.84 CYP2A6 (0.48) JAK2CYP2A6HSD17B1HSD17B2MKNK1
SCHEMBL4288091 0.80 PDK2 (0.41) MKNK1MKNK2TDO2
SCHEMBL13575394 0.79 OXTR (0.53) JAK2CYP2A6HSD17B1HSD17B2MKNK1
SCHEMBL4277096 0.77 MAPK1 (0.49) L3MBTL1
SCHEMBL4281357 0.75 PTGS1 (0.40)
SCHEMBL1646823 0.75 ABL1 (0.50)
SCHEMBL15730261 0.74 CYP2A6 (0.54) JAK2CYP2A6HSD17B1HSD17B2MKNK1
SCHEMBL38536 0.74 CYP2A6 (0.49) JAK2CYP2A6HSD17B1HSD17B2MKNK1
SCHEMBL4277771 0.74 ALDH1A1 (0.42)
SCHEMBL4289250 0.74 PDE10A (0.33)

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 JAK2 4583/4885CYP2A6 4598/4885HSD17B1 4412/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 JAK2 4570/4885CYP2A6 4642/4885HSD17B1 4420/4885

“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.