SCHEMBL5111691

SCHEMBL5111691

CCC(CC)C(NCC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc2nc(Cl)ncc2c(=O)n1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
PTK2B Q14289 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL5120817 0.80 KIF11 (0.48) KIF11
SCHEMBL4524718 0.76 KIF11 (0.48) KIF11ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL4366702 0.75 CASR (0.40) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL5111419 0.74 KIF11 (0.42) KIF11POLBALDH1A1KDM4EMEN1
SCHEMBL5110435 0.73 LMNA (0.38) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL6028568 0.68 PDE1C (0.40) KIF11ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4511307 0.67 KIF11 (0.49) KIF11KDM4EKMT2ASMN1; SMN2TDP1
SCHEMBL5110002 0.64 KIF11 (0.42) KIF11ALDH1A1MEN1KMT2AMAPT
SCHEMBL4541822 0.61 CASR (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL4541819 0.61 CASR (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A

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-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA KIF11 427/4885POLB 205/4885ALDH1A1 2342/4885

“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.