SCHEMBL10145902

SCHEMBL10145902

O=C(c1cnc(N2CCCc3ccc(C(F)(F)F)cc32)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NR1H2 P55055 1/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 2/20 0.39
CNR2 P34972 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC6A9 P48067 2/20 0.38
SLC6A5 Q9Y345 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 2/20 0.38
CAMK1D Q8IU85 1/20 0.38

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
SCHEMBL12796228 0.88 NR1H2 (0.43) NFKB1NFKB2RELANR1H2ALOX5AP
SCHEMBL10146157 0.85 NR1H2 (0.42) NFKB1NFKB2RELANR1H2ALOX5AP
SCHEMBL541786 0.85 NR1H2 (0.42) NR1H2ALOX5APFEN1KCNH2CNR2
SCHEMBL10145898 0.85 NR1H2 (0.44) NR1H2ALOX5APFEN1CNR2HPGD
SCHEMBL12796663 0.82 PRKDC (0.45) NR1H2HPGDTP53SMN1; SMN2
SCHEMBL13141753 0.82 NR1H2 (0.41) JUNNFKB1NFKB2RELANR1H2
SCHEMBL12796505 0.82 TSHR (0.48) NFKB1NFKB2RELANR1H2ALOX5AP
SCHEMBL541540 0.82 SMN1; SMN2 (0.48) SLC6A9SLC6A5SMN1; SMN2
SCHEMBL541768 0.81 PRKDC (0.48) NR1H2CNR2
SCHEMBL10146174 0.79 NR1H2 (0.41) NR1H2CNR2RORC

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 7 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-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
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 JUN 242/4885NFKB1 2708/4885NFKB2 2655/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 JUN 324/4885NFKB1 2619/4885NFKB2 2274/4885

“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.