SCHEMBL12796228

SCHEMBL12796228

O=C(c1cnc(N2CCCc3ccccc32)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
CNR2 P34972 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 3/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL10146157 0.97 NR1H2 (0.42) NR1H2CNR2TSHRALDH1A1HPGD
SCHEMBL12796505 0.94 TSHR (0.48) NR1H2CNR2TSHRALDH1A1HPGD
SCHEMBL10145902 0.88 JUN (0.48) NR1H2CNR2TSHRHPGDTP53
SCHEMBL10145898 0.87 NR1H2 (0.44) NR1H2CNR2TSHRALDH1A1HPGD
SCHEMBL541786 0.87 NR1H2 (0.42) NR1H2CNR2TSHRALDH1A1HPGD
SCHEMBL10146174 0.85 NR1H2 (0.41) NR1H2CNR2AKT1LMNAKMT2A
SCHEMBL12796663 0.85 PRKDC (0.45) NR1H2ALDH1A1HPGDNPC1RAB9A
SCHEMBL13141753 0.85 NR1H2 (0.41) NR1H2CNR2TSHRALDH1A1HPGD
SCHEMBL10145276 0.85 ALDH1A1 (0.46) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL541540 0.84 SMN1; SMN2 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 6 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
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 286/4885CNR2 1/4885TSHR 1392/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NR1H2 401/4885CNR2 1/4885TSHR 1278/4885

“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.