SCHEMBL103700

SCHEMBL103700

NC1CCC(Nc2cc(Nc3ccccc3)c3ccc(C4CC4)n3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.48
CCNE1 P24864 14/20 0.48
FLT3 P36888 14/20 0.48
KIT P10721 1/20 0.46
TYK2 P29597 1/20 0.43
MAPKAPK2 P49137 2/20 0.40
GSK3B P49841 2/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39

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 0.84 CCNE1 (0.66) CDK2CCNE1FLT3KITTYK2
SCHEMBL103715 0.84 CCNE1 (0.66) CDK2CCNE1FLT3KITTYK2
SCHEMBL3024175 0.73 CCNE1 (0.56) CDK2CCNE1FLT3KITTYK2
SCHEMBL3024179 0.73 CCNE1 (0.56) CDK2CCNE1FLT3KITTYK2
SCHEMBL13234486 0.73 CCNE1 (0.59) CDK2CCNE1FLT3KITTYK2
SCHEMBL12012864 0.72 CDK2 (0.68) CDK2CCNE1FLT3KITTYK2
SCHEMBL12013113 0.72 CDK2 (0.68) CDK2CCNE1FLT3KITTYK2
SCHEMBL3022986 0.72 TYK2 (0.78) CDK2CCNE1FLT3KITTYK2
SCHEMBL3022983 0.72 TYK2 (0.78) CDK2CCNE1FLT3KITTYK2
SCHEMBL17920868 0.72 CCNE1 (0.72) CDK2CCNE1FLT3KIT

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-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

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 CDK2 787/4885CCNE1 1554/4885FLT3 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.