SCHEMBL4283150

SCHEMBL4283150

COc1cccc(-c2ccc[c]c2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ALDH1A3 P47895 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP4B1 P13584 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP3A5 P20815 2/20 0.44
CYP2A7 P20853 2/20 0.44
CYP3A7 P24462 2/20 0.44
CYP2F1 P24903 2/20 0.44
CYP2C18 P33260 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2J2 P51589 2/20 0.44

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
SCHEMBL17514627 0.87 ABL1 (0.56) DYRK1ACLK4ALDH1A3CYP1A1CYP1A2
SCHEMBL1646823 0.83 ABL1 (0.50) CLK4MAPTABL1ABCB1BCR
SCHEMBL7839215 0.82 CYP1A1 (0.45) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL5779607 0.82 CYP1A1 (0.45) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL6265992 0.81 DYRK1A (0.47) DYRK1ACLK4ALDH1A3CYP1A1CYP1A2
SCHEMBL2588281 0.81 KDM1A (0.44) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL5384403 0.78 ALOX5 (0.44) TDO2MAOB
SCHEMBL9430884 0.77 DYRK1A (0.44) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL2020140 0.77 ABL1 (0.59) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL7579760 0.76 CASR (0.58) DYRK1ACLK4CYP1A1CYP1A2CYP2E1

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 7 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
WO-2004011260-A1 IMAGING MEMBERS WITH IONIC MULTIFUNCTIONAL EPOXY COMPOUNDS KODAK POLYCHROME GRAPHICS, LLC (US) 2004-02-05 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 DYRK1A 4523/4885CLK4 3163/4885ALDH1A3 3620/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 DYRK1A 4454/4885CLK4 2891/4885ALDH1A3 3531/4885

“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.