SCHEMBL2286007

SCHEMBL2286007

CCC(CC)n1c(O)nc2ccc(C)nc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.39
PDE2A O00408 9/20 0.36
DHFR P00374 4/20 0.35
SLC2A1 P11166 1/20 0.35
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ABCC4 O15439 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2286829 0.83 BACE1 (0.32) DHFRSLC2A1
SCHEMBL4110510 0.83 DHFR (0.33) DHFRSLC2A1
SCHEMBL2289587 0.80 NCF1 (0.33) DHFRSLC2A1
SCHEMBL4120161 0.80 PDE10A (0.44) PDE10APDE2A
SCHEMBL2285500 0.79 CYP1A2 (0.43) CYP1A2
SCHEMBL2289581 0.79
SCHEMBL4110186 0.79 NQO1 (0.34) CYP1A2
SCHEMBL2292642 0.78 DHFR (0.31) DHFR
SCHEMBL2287771 0.78 DHFR (0.31) DHFR
SCHEMBL2287783 0.78 DHFR (0.31) DHFR

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
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 US claimed
US-7998976-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2011-08-16 US disclosed
US-7998976-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2011-08-16 US disclosed
US-7998976-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2011-08-16 US disclosed
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 US disclosed
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 US disclosed
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 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 (1 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-20090247571-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 PDE10A 1322/4885PDE2A 1397/4885DHFR 1442/4885

“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.