SCHEMBL5864327

SCHEMBL5864327

CC(C)C(c1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N1CC(C)(C)N=C1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
KIF11 P52732 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK8 P45983 6/20 0.36
MAPK9 P45984 1/20 0.34
AKR1B10 O60218 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
PKM P14618 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 0.93 ALDH1A1 (0.41) CYP2C19ALDH1A1GAAKIF11TDP1
SCHEMBL5863996 0.90 ALDH1A1 (0.39) CYP2C19ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL5863779 0.90 TDP1 (0.36) CYP2C19KIF11TDP1PTGS1PTGS2
SCHEMBL5752888 0.89 KIF11 (0.41) CYP2C19CYP1A2CYP2C9GAAKIF11
SCHEMBL5786959 0.88 L3MBTL1 (0.37) CYP2C19ALDH1A1GAAKIF11TDP1
SCHEMBL5864191 0.87 PDE4A (0.39) ALDH1A1TDP1PTGS1PTGS2
SCHEMBL4525786 0.87 KIF11 (0.47) CYP2C19ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL5863739 0.87 MAPK8 (0.38) CYP2C19ALDH1A1CYP1A2CYP2C9KIF11
SCHEMBL5864291 0.86 TDP1 (0.42) CYP2C19ALDH1A1GAAKIF11TDP1
SCHEMBL5754034 0.86 GRIN1 (0.39) CYP2C19CYP1A2CYP2C9TDP1PTGS1

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 3 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
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A CYP2C19 4868/4885ALDH1A1 1833/4885CYP1A2 4649/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 CYP2C19 4751/4885ALDH1A1 2274/4885CYP1A2 4367/4885

“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.