SCHEMBL4806604

SCHEMBL4806604

CCc1cc2c(cc1OCc1ccccn1)Cc1c(-c3ccc(C#N)nc3)n[nH]c1-2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.82
RPS6KB1 P23443 2/20 0.57
MARK3 P27448 2/20 0.57
FLT3 P36888 2/20 0.57
RPS6KA3 P51812 2/20 0.57
AURKB Q96GD4 2/20 0.57
AURKA O14965 1/20 0.57
JAK2 O60674 1/20 0.57
CHEK2 O96017 1/20 0.57
CSF1R P07333 1/20 0.57
IKBKB O14920 1/20 0.55
MAP4K4 O95819 1/20 0.55
PIM1 P11309 1/20 0.55
CDK2 P24941 1/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
PLK1 P53350 1/20 0.55
PRKAA1 Q13131 1/20 0.55
STK3 Q13188 1/20 0.55
MELK Q14680 1/20 0.55

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
SCHEMBL4817404 0.90 CHEK1 (1.00) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4815973 0.90 CHEK1 (1.00) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4810768 0.87 CHEK1 (0.82) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4815271 0.85 CHEK1 (0.76) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4807549 0.83 CHEK1 (0.71) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4806314 0.80 CHEK1 (0.81) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4815954 0.80 CHEK1 (1.00) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL6783492 0.79 CHEK1 (0.65) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4813776 0.79 CHEK1 (0.80) CHEK1RPS6KB1MARK3FLT3RPS6KA3
SCHEMBL4812891 0.79 CHEK1 (0.80) CHEK1RPS6KB1MARK3FLT3RPS6KA3

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-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

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 73/4885RPS6KB1 133/4885MARK3 496/4885

“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.