SCHEMBL6018448

SCHEMBL6018448

COc1cc2c(cc1OCCCO)NC(=O)N(CC(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ AURKA O14965 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CHEK1 O14757 3/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.36
▸ SRC P12931 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34

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
SCHEMBL30937518 0.70 DPP4 (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL30937538 0.66 PER2 (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL5044682 0.65 HDAC6 (0.82) ADRA1BHDAC6
SCHEMBL9425191 0.65 L3MBTL1 (0.51) —
SCHEMBL30937679 0.64 BRD4 (0.51) —
SCHEMBL30677753 0.64 MAPT (0.53) —
SCHEMBL27245816 0.64 MAPT (0.53) —
SCHEMBL30937632 0.64 ACE (0.40) PDE4BHDAC6
SCHEMBL29975736 0.63 KMT2A (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL25694234 0.63 KMT2A (0.49) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135541-A1 (3-((Quinazolin-4-yl) amino)-1h-pyrazol-1-yl)acetamide derivatives and related compounds as aurora kinase inhibitors for the treatment of proliferative diseases such as cancer ASTRAZENECA AB (SE) 2006-06-22 — — 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 (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-20060135541-A1 (3-((Quinazolin-4-yl) amino)-1h-pyrazol-1-yl)acetamide derivatives and related compounds as aurora kinase inhibitors for the treatment of proliferative diseases such as cancer CDK19, CDK16, AURKC CA2 1882/4885CA9 1172/4885ADRA1B 653/4885

“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.

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