SCHEMBL3900837

SCHEMBL3900837

Cc1cc(-c2ccc(C(F)(F)F)c(F)c2)ccc1N

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.64
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP11B2 P19099 5/20 0.50
CYP11B1 P15538 4/20 0.50

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
SCHEMBL3896158 0.85 KIF11 (0.72) KIF11CYP11B2CYP11B1
SCHEMBL12775032 0.84 TDP1 (0.65) KIF11ALDH1A1CYP3A4TSHRTDP1
SCHEMBL21116892 0.81 KIF11 (0.76) KIF11CYP11B2CYP11B1
SCHEMBL3895118 0.79 KIF11 (0.64) KIF11ALDH1A1CYP3A4TSHRCYP11B2
SCHEMBL28227135 0.79 KIF11 (0.54) KIF11CYP11B2CYP11B1
SCHEMBL3899873 0.79 KIF11 (0.58) KIF11CYP11B2CYP11B1
SCHEMBL3903111 0.78 KIF11 (0.72) KIF11CYP11B2CYP11B1
SCHEMBL3899619 0.78 KIF11 (1.00) KIF11CYP11B2CYP11B1
Orthotolidine SCHEMBL29365329 0.77 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRTDP1
Orthotolidine SCHEMBL49414 0.77 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885ALDH1A1 2715/4885CYP3A4 4658/4885

“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.