SCHEMBL3898071

SCHEMBL3898071

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.56
FEN1 P39748 1/20 0.56
KIF11 P52732 4/20 0.52
XDH P47989 2/20 0.44
PTPN5 P54829 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
STS P08842 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23915974 0.90 KIF11 (0.52) ALOX5APFEN1KIF11XDHPTPN5
SCHEMBL29788014 0.83 ALOX5AP (0.49) ALOX5APFEN1KIF11XDHPTPN5
SCHEMBL22455736 0.83 ALOX5AP (0.49) ALOX5APFEN1KIF11XDHPTPN5
SCHEMBL3910990 0.82 FEN1 (0.65) ALOX5APFEN1KIF11XDHCYP11B1
SCHEMBL30101062 0.81 KDM4E (0.48) ALOX5APFEN1ALDH1A1MEN1KMT2A
SCHEMBL2038022 0.79 CYP2C8 (0.56) ALOX5APFEN1XDHPTPN5PTGDR2
SCHEMBL4668665 0.78 STS (0.68) ALOX5APFEN1KIF11XDHSTS
SCHEMBL3788720 0.78 KIF11 (0.61) ALOX5APFEN1KIF11ALDH1A1MEN1
SCHEMBL25658426 0.76 ALOX5AP (0.55) ALOX5APFEN1KIF11XDHPTPN5
SCHEMBL29876988 0.76 KIF11 (0.53) ALOX5APFEN1KIF11XDHPTPN5

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 ALOX5AP 1869/4885FEN1 1405/4885KIF11 824/4885

“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.