SCHEMBL5863779

SCHEMBL5863779

CC(C)C(c1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N1CC(C)(C)N=C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK8 P45983 5/20 0.36
MAPK9 P45984 1/20 0.34
PDE1C Q14123 4/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
PDE1B Q01064 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RX7 Q99572 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5754107 0.91 ALDH1A1 (0.41) TDP1PTGS1PTGS2MAPK8MAPK9
SCHEMBL5864327 0.90 CYP2C19 (0.40) TDP1PTGS1PTGS2MAPK8MAPK9
SCHEMBL5786959 0.89 L3MBTL1 (0.37) TDP1PTGS1PTGS2MAPK8MAPT
SCHEMBL5752888 0.89 KIF11 (0.41) TDP1PTGS1PTGS2MAPK8MAP1LC3B
SCHEMBL5864191 0.89 PDE4A (0.39) TDP1PTGS1PTGS2MAPT
SCHEMBL5863739 0.89 MAPK8 (0.38) TDP1PTGS1PTGS2MAPK8PDE1C
SCHEMBL5863996 0.89 ALDH1A1 (0.39) MAPK8MAPTTP53CYP3A4CYP2C19
SCHEMBL5754034 0.87 GRIN1 (0.39) TDP1PTGS1PTGS2MAPK8TP53
SCHEMBL4517621 0.87 KIF11 (0.43) TDP1PTGS1PTGS2MAP1LC3BCYP3A4
SCHEMBL5864291 0.85 TDP1 (0.42) TDP1PTGS1PTGS2MAPK8MAPK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041676-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-05-09 US disclosed
US-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity CYTOKINETICS, INC. 2006-01-26 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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A TDP1 554/4885PTGS1 2664/4885PTGS2 3010/4885

“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.