SCHEMBL4891646

SCHEMBL4891646

O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)cnc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.62
MAP4K4 O95819 2/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
KDR P35968 1/20 0.54
MAP2K2 P36507 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
SCHEMBL1396298 0.90 ABL1 (0.67) KIF11MAP4K4CHEK1AURKADAPK3
SCHEMBL1258081 0.83 ABL1 (0.56) KIF11MAP4K4CHEK1AURKADAPK3
SCHEMBL3309747 0.83 CHEK1 (0.56) KIF11MAP4K4CHEK1AURKADAPK3
SCHEMBL4596129 0.80 KIF11 (0.42) KIF11MAP4K4CHEK1AURKADAPK3
SCHEMBL1396616 0.77 KIF11 (1.00) KIF11TDP2AKT1PDE3BPDE3A
SCHEMBL3307653 0.74 KIF11 (0.78) KIF11TDP2CRBNAKT1CA9
SCHEMBL4893178 0.73 KIF11 (0.63) KIF11TDP2CYP1A2CYP11B1CYP11B2
SCHEMBL30549857 0.73 PARP10 (0.51) KIF11MAP4K4CDK9TDP2CA12
SCHEMBL25796894 0.73 PARP10 (0.51) KIF11MAP4K4CDK9TDP2CA12
SCHEMBL19430357 0.73 ABL1 (0.45) MAP4K4CHEK1AURKADAPK3PRKD3

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885MAP4K4 1079/4885CHEK1 206/4885

“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.