SCHEMBL4815434

SCHEMBL4815434

CCN(CC)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)c(OC)c4)nc3)n[nH]c1-2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.60
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
NTRK1 P04629 1/20 0.49
KDR P35968 1/20 0.49
JAK2 O60674 1/20 0.46
CHEK2 O96017 1/20 0.46
CSF1R P07333 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MARK3 P27448 1/20 0.46
FLT3 P36888 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL4815777 0.87 CHEK1 (0.64) CHEK1KDR
SCHEMBL4813886 0.85 CHEK1 (0.81) CHEK1
SCHEMBL4807726 0.84 CHEK1 (0.72) CHEK1AURKAAURKBNTRK1KDR
SCHEMBL4810418 0.82 CHEK1 (0.61) CHEK1AURKAAURKBNTRK1KDR
SCHEMBL4814764 0.80 CHEK1 (0.70) CHEK1
SCHEMBL4811796 0.79 CHEK1 (0.63) CHEK1JAK2
SCHEMBL4818801 0.79 CHEK1 (0.61) CHEK1AURKAAURKBKDRJAK2
SCHEMBL4812443 0.79 CHEK1 (0.77) CHEK1
SCHEMBL4807295 0.78 CHEK1 (0.65) CHEK1
SCHEMBL4813279 0.77 CHEK1 (0.65) CHEK1AURKAAURKBKDRJAK2

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US claimed
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 73/4885AURKA 314/4885AURKB 204/4885

“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.