SCHEMBL10276567

SCHEMBL10276567

N#Cc1ccc(-c2c(-c3ccc(F)cc3F)nc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc(=O)n23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
KIF11 P52732 1/20 0.37
KDM1A O60341 5/20 0.37
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
KIT P10721 2/20 0.35
AR P10275 1/20 0.35
NSD2 O96028 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL10275689 0.93 GCGR (0.38) GCGRMAPK14KIF11KDM1ADGAT1
SCHEMBL10276237 0.93 KDM1A (0.37) GCGRMAPK14KIF11KDM1ADGAT1
SCHEMBL10275958 0.90 KDM1A (0.39) GCGRMAPK14KDM1AKCNH2ALDH1A1
SCHEMBL10276273 0.88 KIF11 (0.44) GCGRMAPK14KIF11KDM1ADGAT1
SCHEMBL12826486 0.87 KDM1A (0.37) GCGRMAPK14KIF11KDM1ADGAT1
SCHEMBL10276482 0.85 KDM4E (0.39) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL10275664 0.83 ADORA1 (0.40) GCGRMAPK14KDM1AKCNH2AR
SCHEMBL10275998 0.82 AR (0.39) GCGRMAPK14KDM1AKCNH2ALDH1A1
SCHEMBL10275891 0.81 KDM4E (0.45) KIF11KDM1ADGAT1SOAT1KCNH2
SCHEMBL10275525 0.81 LDHA (0.35) ALDH1A1MAPTKDM4EGAAKMT2A

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 GCGR 2747/4885MAPK14 2663/4885KIF11 4069/4885

“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.