SCHEMBL4287900

SCHEMBL4287900

Cc1ccc(-c2ccc[c]c2SC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
SLC22A12 Q96S37 1/20 0.38
PTGS2 P35354 3/20 0.35
TDO2 P48775 1/20 0.35
MAPK10 P53779 2/20 0.35
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
HPGDS O60760 1/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC4 P56524 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
JUN P05412 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4280238 0.78 PDK2 (0.47) PDK2SLC22A12PTGS2TDO2MAPK10
SCHEMBL4280164 0.75 PDK2 (0.45) PDK2PTGS2TDO2MAPK10PDE3B
SCHEMBL4275914 0.75 PDK2 (0.42) PDK2SLC22A12PTGS2TDO2MAPK10
SCHEMBL4288091 0.73 PDK2 (0.41) PDK2SLC22A12PTGS2TDO2MAPK10
SCHEMBL4289010 0.72 HSD17B1 (0.39)
SCHEMBL4284670 0.72 PDK2 (0.42) PDK2PTGS2TDO2MAPK10PDE3B
SCHEMBL4277607 0.70 PDK2 (0.39) PDK2SLC22A12PTGS2TDO2MAPK10
SCHEMBL4276321 0.70 PDE10A (0.43) PDK2SLC22A12PTGS2TDO2MAPK10
SCHEMBL2105887 0.69 PDK2 (0.39) PDK2SLC22A12PTGS2TDO2NPC1
SCHEMBL4279663 0.68 PDK2 (0.37) PDK2SLC22A12PTGS2TDO2MAPK10

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 PDK2 3935/4885SLC22A12 3007/4885PTGS2 2180/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDK2 3769/4885SLC22A12 3233/4885PTGS2 2225/4885

“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.