SCHEMBL5864191

SCHEMBL5864191

COc1ccc(C2=NC(C)(C)CN2C(c2cc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.39
PDE4B Q07343 8/20 0.39
PDE4C Q08493 8/20 0.39
PDE4D Q08499 8/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL5863996 0.91 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGD
SCHEMBL5863779 0.89 TDP1 (0.36) MAPTTDP1PTGS1PTGS2
SCHEMBL5754107 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTDP1PTGS1
SCHEMBL4533965 0.88 KIF11 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5864327 0.87 CYP2C19 (0.40) ALDH1A1TDP1PTGS1PTGS2
SCHEMBL5786959 0.87 L3MBTL1 (0.37) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL5752888 0.86 KIF11 (0.41) KDM4EHPGDTDP1PTGS1PTGS2
SCHEMBL5863739 0.86 MAPK8 (0.38) ALDH1A1KDM4ETDP1PTGS1PTGS2
SCHEMBL5754034 0.85 GRIN1 (0.39) KDM4ETDP1PTGS1PTGS2
SCHEMBL5864291 0.82 TDP1 (0.42) ALDH1A1MAPTKDM4EHPGDTDP1

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 2 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

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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A PDE4A 1529/4885PDE4B 1678/4885PDE4C 2401/4885

“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.