SCHEMBL541786

SCHEMBL541786

O=C(O)c1ccc2c(c1)CCCN2c1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
KCNH2 Q12809 3/20 0.39
PRKDC P78527 2/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3CA P42336 1/20 0.38
HDAC4 P56524 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
PDE4B Q07343 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL541768 0.91 PRKDC (0.48) NR1H2PRKDCCNR2ALDH1A1PDK1
SCHEMBL10145898 0.89 NR1H2 (0.44) NR1H2CNR2HPGDTP53TSHR
SCHEMBL12796228 0.87 NR1H2 (0.43) NR1H2CNR2HPGDTP53TSHR
SCHEMBL13141753 0.87 NR1H2 (0.41) NR1H2CNR2HPGDTP53TSHR
SCHEMBL12796663 0.87 PRKDC (0.45) NR1H2PRKDCHPGDTP53ALDH1A1
SCHEMBL541540 0.86 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL10145902 0.85 JUN (0.48) NR1H2KCNH2CNR2HPGDTP53
SCHEMBL10146157 0.84 NR1H2 (0.42) NR1H2CNR2HPGDTP53TSHR
SCHEMBL12796505 0.81 TSHR (0.48) NR1H2CNR2HPGDTP53TSHR
SCHEMBL10146174 0.79 NR1H2 (0.41) NR1H2CNR2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NR1H2 286/4885KCNH2 1884/4885PRKDC 3524/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NR1H2 401/4885KCNH2 1656/4885PRKDC 3470/4885

“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.