SCHEMBL4596701

SCHEMBL4596701

NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.44
EPHX2 P34913 1/20 0.44
AGXT P21549 1/20 0.44
KIF11 P52732 4/20 0.44
GSK3B P49841 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ACP1 P24666 1/20 0.43
PPARA Q07869 1/20 0.42
APP P05067 2/20 0.41
PRKACA P17612 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41

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
SCHEMBL4596205 0.84 ACP1 (0.54) KIF11ACP1MEN1MAPTKMT2A
SCHEMBL4595908 0.78 GSK3B (0.58) PTPN5EPHX2AGXTKIF11GSK3B
SCHEMBL18983680 0.75 ALDH1A1 (0.60) PTPN5EPHX2APPBACE1RXFP1
SCHEMBL14014974 0.73 MEN1 (0.55) PTPN5EPHX2ACP1RXFP1KDM4E
SCHEMBL28500755 0.72 PTPN5 (0.45) PTPN5EPHX2ACP1APPCDK8
SCHEMBL17138644 0.71 HSD17B10 (0.55) BACE1KDM4EMEN1ALDH1A1MAPT
SCHEMBL4596378 0.71 CNR1 (0.60) ACP1
SCHEMBL16894138 0.70 MAOB (0.51) AGXTKIF11MAOB
SCHEMBL3896342 0.70 KIF11 (0.52) AGXTKIF11HDAC2MAOB
SCHEMBL894079 0.70 AGXT (0.69) PTPN5AGXTKIF11BACE1MGLL

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 3 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 disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 PTPN5 3898/4885EPHX2 3136/4885AGXT 3518/4885

“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.