SCHEMBL6783292

SCHEMBL6783292

COc1cc2c(cc1OCCCN1CCCCC1)C(C)(C)c1c(-c3ccc(C#N)nc3)n[nH]c1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.58
MARK3 P27448 2/20 0.47
KDR P35968 2/20 0.47
MARK2 Q7KZI7 2/20 0.47
AURKB Q96GD4 2/20 0.47
AURKA O14965 1/20 0.47
CHEK2 O96017 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT3 P36888 1/20 0.47
ITK Q08881 1/20 0.47
RET P07949 1/20 0.47
PDGFRA P16234 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
RPS6KA3 P51812 1/20 0.47
TYRO3 Q06418 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47

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
SCHEMBL6217279 0.92 CHEK1 (0.68) CHEK1MARK3KDRMARK2AURKB
SCHEMBL6213826 0.86 CHEK1 (0.64) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL6212107 0.80 CHEK1 (0.85) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL6218491 0.79 CHEK1 (0.55) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL6218486 0.79 CHEK1 (0.55) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL6217783 0.79 CHEK1 (0.87) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL6783178 0.79 CHEK1 (0.70) CHEK1MARK3AURKBAURKACHEK2
SCHEMBL4806341 0.79 CHEK1 (0.57) CHEK1MARK3MARK2AURKBAURKA
SCHEMBL4816804 0.78 CHEK1 (0.58) CHEK1MARK3AURKBAURKACHEK2
SCHEMBL6790756 0.77 CHEK1 (0.93) CHEK1MARK3KDRMARK2AURKB

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 73/4885MARK3 496/4885KDR 1024/4885

“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.