SCHEMBL10276001

SCHEMBL10276001

N#Cc1ccc(-c2cc(=O)n3nc(-c4ccccc4C(F)(F)F)c(-c4ccc(F)cc4F)cc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
PSD A5PKW4 1/20 0.37
MAOB P27338 1/20 0.36
ACP1 P24666 1/20 0.35
TP53 P04637 3/20 0.35
TGFBR1 P36897 2/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.34
ADORA1 P30542 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ADORA2A P29274 1/20 0.34
THRB P10828 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33

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
SCHEMBL10275636 0.88 ADORA1 (0.43) ARMAOBTP53KDM4EALDH1A1
SCHEMBL10275813 0.86 AR (0.42) ARPSDTP53KIF11KDM4E
SCHEMBL10275338 0.81 AR (0.43) ARPSDTP53KDM4EALDH1A1
SCHEMBL10275992 0.80 TP53 (0.44) MAOBTP53KDM4EALDH1A1MAPT
SCHEMBL10275238 0.79 AR (0.41) ARPSDKDM4EALDH1A1MAPT
SCHEMBL10275985 0.78 MAPT (0.46) ARTP53KDM4EALDH1A1MAPT
SCHEMBL10276046 0.78 AR (0.41) ARPSDKDM4EALDH1A1MAPT
SCHEMBL10276098 0.74 KIF11 (0.35) ARMAOBKIF11ADORA1ADORA2A
SCHEMBL10275913 0.74 KIF11 (0.35) ARMAOBKIF11ADORA1ADORA2A
SCHEMBL10276133 0.73 AR (0.36) ARPSDTP53

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 AR 3221/4885PSD 591/4885MAOB 413/4885

“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.