SCHEMBL10276695

SCHEMBL10276695

N#Cc1ccc(C2=CC(=O)N3NC(c4ccccc4C(F)(F)F)=C(c4ccc(F)cc4F)C=C3N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
HSD11B1 P28845 1/20 0.33
AR P10275 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
PDK2 Q15119 1/20 0.32
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
WDR5 P61964 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10276333 0.88 ADORA1 (0.33) HSD11B1ARALOX5APFEN1PDE3B
SCHEMBL10276350 0.85 PDE3B (0.34) KIF11ARWDR5PDE3BPDE3A
SCHEMBL10275638 0.82 KCNH2 (0.36) ARALOX5APFEN1PDE3BPDE3A
SCHEMBL10275437 0.81 APP (0.35) KIF11HSD11B1ALOX5APFEN1
SCHEMBL10276004 0.79 KCNH2 (0.37) ARPDE3BPDE3A
SCHEMBL10275499 0.78 KDM1A (0.38) ARALOX5APFEN1PDE3BPDE3A
SCHEMBL10275411 0.74 APP (0.37) KIF11ALOX5APFEN1RXRAPDE3B
SCHEMBL10276129 0.74 CNR2 (0.33) PDE3BPDE3A
SCHEMBL12825921 0.73 BACE1 (0.37) KIF11MAPT
SCHEMBL10275481 0.72 ADAM17 (0.35) KIF11ALOX5APFEN1PDE3BPDE3A

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 KIF11 4069/4885HSD11B1 831/4885AR 3221/4885

“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.