SCHEMBL3900997

SCHEMBL3900997

Cc1cc(N)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.57
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.42
MAPK1 P28482 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAOB P27338 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
SCHEMBL14054473 0.91 KIF11 (0.59) KIF11SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL21020925 0.86 KIF11 (0.57) KIF11TSHRGLAPOLBGAA
SCHEMBL8146040 0.84 ALDH1A1 (0.56) TSHRGAAALDH1A1MAPT
SCHEMBL23686209 0.84 GLA (0.63) KIF11TSHRGLAPOLBGAA
SCHEMBL5851644 0.83 KIF11 (0.63) KIF11TSHRGLAPOLBGAA
SCHEMBL26464983 0.83 GLA (0.61) KIF11TSHRGLAPOLBGAA
SCHEMBL99566 0.82 ALDH1A1 (0.54) TSHRGAAALDH1A1MAPTMAOB
SCHEMBL6011433 0.81 KIF11 (0.61) KIF11TSHRGLAPOLBGAA
Methane SCHEMBL28805939 0.81 ALDH1A1 (0.52) TSHRGAAALDH1A1MAPTMAOB
SCHEMBL8953996 0.81 ALDH1A1 (0.52) TSHRGAAALDH1A1MAPT

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 8 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
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 EP disclosed
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 US 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
EP-1694281-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-30 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 WO disclosed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 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 (2 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-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885SLC1A3 3726/4885SLC1A2 3591/4885
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885SLC1A3 3726/4885SLC1A2 3591/4885

“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.