SCHEMBL4525786

SCHEMBL4525786

CC(C)C(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N1CC(C)(C)N=C1c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL4528790 0.95 KIF11 (0.45) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4514039 0.93 KIF11 (0.50) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4518654 0.93 KIF11 (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4523770 0.92 KIF11 (0.44) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4518338 0.92 KIF11 (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4525714 0.91 KIF11 (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4523045 0.91 KIF11 (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4524816 0.91 EGFR (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4517621 0.91 KIF11 (0.43) KIF11ALDH1A1CYP2C19CYP3A4MAP1LC3B
SCHEMBL4518681 0.90 KIF11 (0.44) KIF11ALDH1A1CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 US disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 KIF11 1233/4885ALDH1A1 4174/4885CYP2C19 4685/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885ALDH1A1 2274/4885CYP2C19 4751/4885

“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.