SCHEMBL4277607

SCHEMBL4277607

CCc1[c]cccc1-c1ccc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
HPGDS O60760 1/20 0.36
PTGS2 P35354 2/20 0.35
TDO2 P48775 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MAPK10 P53779 3/20 0.35
PDE10A Q9Y233 1/20 0.34
JUN P05412 2/20 0.34
IDO1 P14902 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
MAPK1 P28482 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL3347947 0.80 SYK (0.33) NPC1RAB9A
SCHEMBL4275914 0.80 PDK2 (0.42) PDK2NPC1PKMRAB9AHPGDS
SCHEMBL4279663 0.78 PDK2 (0.37) PDK2NPC1PKMRAB9AHPGDS
SCHEMBL4288091 0.78 PDK2 (0.41) PDK2NPC1PKMRAB9AHPGDS
SCHEMBL1774729 0.75 DPP4 (0.36) RAB9APTGS2MAPK1
SCHEMBL4276321 0.74 PDE10A (0.43) PDK2NPC1PKMRAB9AHPGDS
SCHEMBL4280238 0.73 PDK2 (0.47) PDK2NPC1PKMRAB9AHPGDS
SCHEMBL6397214 0.72 KIF11 (0.35) NPC1RAB9A
SCHEMBL8913079 0.72 ABL1 (0.46) NPC1RAB9APTGS2MAPK1HSP90AA1
SCHEMBL4279990 0.72 PDK2 (0.35) PDK2HPGDSPTGS2TDO2MAPK10

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 8 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
CN-100345823-C Compounds, compositions and methods CYTOKINETICS INC (US) 2007-10-31 CN disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
CN-1738793-A Compounds, compositions and methods CYTOKINETICS INC (US) 2006-02-22 CN 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 3935/4885NPC1 4584/4885PKM 1582/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDK2 3769/4885NPC1 4608/4885PKM 1562/4885

“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.