SCHEMBL4524718

SCHEMBL4524718

CC(C)C(NCC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
CYP3A4 P08684 2/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE6D O43924 3/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CASR P41180 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4511307 0.92 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4366702 0.83 CASR (0.40) SMN1; SMN2NPSR1CASRALDH1A1
SCHEMBL5724300 0.80 KIF11 (0.55) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4518824 0.79 KIF11 (0.70) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4518988 0.78 KIF11 (0.51) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4522589 0.77 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL6454042 0.76 KIF11 (0.62) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5111691 0.76 KIF11 (0.37) KIF11SMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL4513091 0.75 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5523051 0.75 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US claimed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US claimed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
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
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 US disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO 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 (3 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 1233/4885CYP3A4 4624/4885MAP1LC3B 1225/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885CYP3A4 4722/4885MAP1LC3B 1330/4885
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK KIF11 2557/4885CYP3A4 993/4885MAP1LC3B 2480/4885

“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.