SCHEMBL4512260

SCHEMBL4512260

CCC(O)Cn1cc(NC(=O)c2cc(COc3cccc(C(F)(F)F)c3)ccn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDR P35968 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAOB P27338 1/20 0.41
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40
SRC P12931 1/20 0.40
RPS6KB1 P23443 1/20 0.40
EPHA2 P29317 1/20 0.40
TYK2 P29597 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
SCHEMBL4508842 0.85 ALDH1A1 (0.52) SCD5ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4499452 0.85 SCD5 (0.43) SCD5ALDH1A1MRGPRX4CYP2C8CYP2B6
SCHEMBL4506513 0.84 SCD5 (0.49) SCD5ALDH1A1MRGPRX4CYP2C8CYP2B6
SCHEMBL4508856 0.83 MRGPRX4 (0.48) SCD5ALDH1A1KDRMRGPRX4MAOB
SCHEMBL4507951 0.82 SCD (0.49) SCD5ALDH1A1KDRMRGPRX4MAOB
Trifluoroacetic Acid SCHEMBL4504473 0.81 ALDH1A1 (0.46) SCD5ALDH1A1MRGPRX4JAK2TYK2
SCHEMBL4505841 0.79 MEN1 (0.43) ALDH1A1MRGPRX4JAK2TYK2CYP2C9
SCHEMBL4496601 0.79 MAPT (0.60) ALDH1A1KDRMRGPRX4MAOBPLK4
Hydrochloric Acid SCHEMBL4496489 0.77 MRGPRX4 (0.47) ALDH1A1KDRMRGPRX4MAOBPLK4
SCHEMBL4508426 0.75 ALDH1A1 (0.56) SCD5ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS SCD5 2/4885ALDH1A1 1311/4885KDR 618/4885

“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.