SCHEMBL4898372

SCHEMBL4898372

O=C1CNCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.72
TDP2 O95551 2/20 0.55
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
PGR P06401 1/20 0.43
GAA P10253 1/20 0.42
CDK2 P24941 2/20 0.41
AKT1 P31749 2/20 0.41
CDK1 P06493 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ASIC3 Q9UHC3 1/20 0.41
CYP2C9 P11712 1/20 0.40
TBXAS1 P24557 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL1903306 0.85 KIF11 (0.80) KIF11TDP2PDE3BPDE3APGR
SCHEMBL1396616 0.84 KIF11 (1.00) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4596437 0.81 KIF11 (0.65) KIF11TDP2PDE3BPDE3AGAA
SCHEMBL4888035 0.80 KIF11 (0.86) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4888861 0.80 KIF11 (0.86) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4595139 0.79 KIF11 (0.62) KIF11TDP2PDE3BPDE3AGAA
SCHEMBL4596305 0.79 KIF11 (0.62) KIF11TDP2PDE3BPDE3AGAA
SCHEMBL4596644 0.79 KIF11 (0.70) KIF11TDP2PDE3BPDE3APGR
SCHEMBL4596516 0.79 KIF11 (0.70) KIF11TDP2PDE3BPDE3APGR
SCHEMBL4596871 0.77 KIF11 (0.59) KIF11TDP2PDE3BPDE3AGAA

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 claimed
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 562/4885TDP2 1033/4885PDE3B 2947/4885

“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.