SCHEMBL4366702

SCHEMBL4366702

Cc1nc(C(NCC(=O)CCN2C(=O)c3ccccc3C2=O)C(C)C)n(Cc2ccccc2)c(=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
EGLN1 Q9GZT9 4/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4541822 0.87 CASR (0.41) CASRALDH1A1KMT2AMEN1CASP3
SCHEMBL4541819 0.87 CASR (0.41) CASRALDH1A1KMT2AMEN1CASP3
SCHEMBL4524718 0.83 KIF11 (0.48) CASRALDH1A1SMN1; SMN2NPSR1
SCHEMBL4360865 0.78 KIF11 (0.52) ALDH1A1
SCHEMBL5407099 0.76 THRB (0.43) CASRPOLBKMT2AMEN1EGLN1
SCHEMBL5111691 0.75 KIF11 (0.37) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4359237 0.74 KIF11 (0.53) POLBALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4511307 0.74 KIF11 (0.49) KMT2ASMN1; SMN2NPSR1
SCHEMBL5395448 0.74 KIF11 (0.43) CASRPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL4362653 0.74 KIF11 (0.59)

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-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 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 (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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CASR 4563/4885POLB 136/4885ALDH1A1 2640/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CASR 4563/4885POLB 136/4885ALDH1A1 2640/4885

“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.