SCHEMBL103715

SCHEMBL103715

NC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C4CC4)n3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.66
CDK2 P24941 19/20 0.66
FLT3 P36888 19/20 0.66
KIT P10721 1/20 0.58
TYK2 P29597 1/20 0.54

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
SCHEMBL13213956 1.00 CCNE1 (0.66) CCNE1CDK2FLT3KITTYK2
SCHEMBL3024179 0.85 CCNE1 (0.56) CCNE1CDK2FLT3KITTYK2
SCHEMBL3024175 0.85 CCNE1 (0.56) CCNE1CDK2FLT3KITTYK2
SCHEMBL13234486 0.85 CCNE1 (0.59) CCNE1CDK2FLT3KITTYK2
SCHEMBL103700 0.84 CDK2 (0.48) CCNE1CDK2FLT3KITTYK2
SCHEMBL3022986 0.84 TYK2 (0.78) CCNE1CDK2FLT3KITTYK2
SCHEMBL3022983 0.84 TYK2 (0.78) CCNE1CDK2FLT3KITTYK2
SCHEMBL13213959 0.83 CCNE1 (0.54) CCNE1CDK2FLT3KITTYK2
SCHEMBL3721026 0.82 TYK2 (0.64) CCNE1CDK2FLT3KITTYK2
SCHEMBL3721030 0.82 TYK2 (0.64) CCNE1CDK2FLT3KITTYK2

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 WO 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CCNE1 1554/4885CDK2 787/4885FLT3 1514/4885

“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.