SCHEMBL4282895

SCHEMBL4282895

Cc1ccc(-c2ccc[c]c2Oc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.41
PDK2 Q15119 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
FEN1 P39748 1/20 0.35
PKM P14618 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL4276321 0.82 PDE10A (0.43) PDE10APDK2NPC1RAB9APKM
SCHEMBL4274651 0.81 BRD4 (0.39) PDK2MAPTMAPK1L3MBTL1TDP1
SCHEMBL7700098 0.80 GSTP1 (0.50) NPC1RAB9ATSHRLTA4H
SCHEMBL5392376 0.80 LTA4H (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4279663 0.79 PDK2 (0.37) PDE10APDK2MEN1KMT2ANPC1
SCHEMBL4280164 0.78 PDK2 (0.45) PDE10APDK2ABL1
SCHEMBL4275914 0.78 PDK2 (0.42) PDE10APDK2NPC1RAB9AMAPK1
SCHEMBL4279990 0.76 PDK2 (0.35) PDE10APDK2MEN1KMT2ASMN1; SMN2
SCHEMBL16720564 0.76 NOTUM (0.39) PDE10AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3938740 0.75 ACACB (0.37) MEN1KMT2ANPC1RAB9AMAPT

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 163/4885PDK2 3935/4885MEN1 4331/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDE10A 209/4885PDK2 3769/4885MEN1 4344/4885

“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.