SCHEMBL4274810

SCHEMBL4274810

COc1c(C)[c]ccc1-c1ccc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
HPGDS O60760 1/20 0.36
POLQ O75417 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTGS2 P35354 2/20 0.35
TDO2 P48775 1/20 0.35
USP7 Q93009 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
FYN P06241 4/20 0.33
TGFBR1 P36897 2/20 0.33
CHEK2 O96017 2/20 0.33
PDK2 Q15119 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL4280005 0.80 HPGDS (0.40) PDE10AHPGDSPTGS2TDO2PDK2
SCHEMBL4282468 0.77 PDE10A (0.43) PDE10AHPGDSPOLQCYP2A6PTGS2
SCHEMBL4281627 0.77 PDK2 (0.40) PDE10AHPGDSPTGS2TDO2PDK2
SCHEMBL4275611 0.73 MGAM (0.37) FYN
SCHEMBL4275914 0.73 PDK2 (0.42) PDE10AHPGDSPTGS2TDO2PDK2
SCHEMBL4280266 0.72 FYN (0.43) FYNTGFBR1
SCHEMBL4275481 0.71 HPGDS (0.39) PDE10AHPGDSPTGS2TDO2PDK2
SCHEMBL4284685 0.71 HPGDS (0.39) PDE10AHPGDSPTGS2TDO2PDK2
SCHEMBL4276321 0.71 PDE10A (0.43) PDE10AHPGDSPOLQCYP2A6PTGS2
SCHEMBL4275475 0.69 HPGDS (0.40) PDE10AHPGDSCYP2A6PTGS2TDO2

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 PDE10A 163/4885HPGDS 1344/4885POLQ 3650/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDE10A 209/4885HPGDS 1437/4885POLQ 3486/4885

“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.