SCHEMBL6789556

SCHEMBL6789556

COc1cc2c(cc1OCCN1CCOCC1)Cc1c(-c3ccc(C#N)nc3)n[nH]c1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
RET P07949 2/20 0.78
MARK3 P27448 2/20 0.78
RPS6KA3 P51812 2/20 0.78
MELK Q14680 2/20 0.78
MARK2 Q7KZI7 2/20 0.78
BRSK1 Q8TDC3 2/20 0.78
AURKB Q96GD4 2/20 0.78
MAP4K4 O95819 1/20 0.78
PHKG2 P15735 1/20 0.78
RPS6KB1 P23443 1/20 0.78
FLT3 P36888 1/20 0.78
PRKAA1 Q13131 1/20 0.78
MINK1 Q8N4C8 1/20 0.78
PDGFRA P16234 1/20 0.71
CDK2 P24941 1/20 0.71
FLT4 P35916 1/20 0.71
KDR P35968 1/20 0.71
TYRO3 Q06418 1/20 0.71
CAMK2G Q13555 1/20 0.71

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
SCHEMBL6789069 1.00 CHEK1 (1.00) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL6790756 0.96 CHEK1 (0.93) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL6217783 0.93 CHEK1 (0.87) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL6212107 0.92 CHEK1 (0.85) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL4807030 0.86 CHEK1 (0.78) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL4806204 0.86 CHEK1 (1.00) CHEK1MARK3RPS6KA3AURKBRPS6KB1
SCHEMBL4816129 0.86 CHEK1 (1.00) CHEK1MARK3RPS6KA3AURKBRPS6KB1
SCHEMBL6215025 0.86 CHEK1 (1.00) CHEK1
SCHEMBL4815954 0.86 CHEK1 (1.00) CHEK1MARK3RPS6KA3AURKBRPS6KB1
SCHEMBL6789766 0.85 CHEK1 (0.73) CHEK1RETMARK3RPS6KA3MELK

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-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 73/4885RET 417/4885MARK3 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.