SCHEMBL4816112

SCHEMBL4816112

COc1cc(-c2ccc(-c3n[nH]c4c3Cc3cc(OC)c(OC)cc3-4)cc2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.81
PDGFRB P09619 1/20 0.71
AURKA O14965 1/20 0.67
NTRK1 P04629 1/20 0.67
KDR P35968 1/20 0.67
AURKB Q96GD4 1/20 0.67

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
SCHEMBL4815842 0.95 CHEK1 (0.85) CHEK1PDGFRBAURKANTRK1KDR
SCHEMBL4815086 0.90 CHEK1 (1.00) CHEK1PDGFRB
SCHEMBL4819436 0.89 CHEK1 (0.74) CHEK1AURKANTRK1KDRAURKB
SCHEMBL4810301 0.88 CHEK1 (1.00) CHEK1PDGFRB
SCHEMBL4814924 0.87 CHEK1 (0.72) CHEK1AURKANTRK1KDRAURKB
SCHEMBL4813886 0.87 CHEK1 (0.81) CHEK1PDGFRB
SCHEMBL4814981 0.87 CHEK1 (1.00) CHEK1AURKANTRK1KDRAURKB
SCHEMBL4812074 0.87 CHEK1 (1.00) CHEK1AURKANTRK1KDRAURKB
SCHEMBL4817551 0.85 CHEK1 (0.72) CHEK1AURKANTRK1KDRAURKB
SCHEMBL6961118 0.84 CHEK1 (0.80) CHEK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US claimed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CHEK1 73/4885PDGFRB 871/4885AURKA 314/4885

“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.