SCHEMBL4890890

SCHEMBL4890890

CC1CNc2cc(-c3ccc(C(F)(F)F)cc3)ccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
BRD9 Q9H8M2 1/20 0.48
TDP2 O95551 1/20 0.42
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KMT2A Q03164 3/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TNKS O95271 1/20 0.36
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
AR P10275 1/20 0.36
GRM2 Q14416 1/20 0.35
MEN1 O00255 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL4594955 0.84 KIF11 (0.59) KIF11BRD9TDP2
SCHEMBL4595139 0.76 KIF11 (0.62) KIF11TDP2PARP1PARP2GRM2
SCHEMBL4596333 0.74 KIF11 (0.68) KIF11BRD9TDP2PARP1KMT2A
SCHEMBL4596871 0.74 KIF11 (0.59) KIF11TDP2PARP1PARP2KMT2A
SCHEMBL13729969 0.73 BRD9 (0.46) BRD9KMT2ACA1CA2MEN1
SCHEMBL11661271 0.73 BRD9 (0.46) BRD9KMT2ACA1CA2MEN1
SCHEMBL315112 0.72 PDE3B (0.48) BRD9CA1CA2HTR2AHTR2C
SCHEMBL315113 0.72 PDE3B (0.48) BRD9CA1CA2HTR2AHTR2C
SCHEMBL315114 0.72 PDE3B (0.48) BRD9CA1CA2HTR2AHTR2C
SCHEMBL4596305 0.71 KIF11 (0.62) KIF11TDP2PARP1PARP2GRM2

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 562/4885BRD9 3396/4885TDP2 1033/4885

“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.