SCHEMBL541334

SCHEMBL541334

O=C(c1cnc(Oc2ccc(Cl)cc2Cl)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
LRRK2 Q5S007 4/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
NR1H2 P55055 1/20 0.41
P2RX7 Q99572 1/20 0.41
RORC P51449 1/20 0.41
ALPL P05186 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3377550 0.79 CNR2 (0.65) LRRK2CNR2
SCHEMBL29510127 0.79 CNR2 (0.65) LRRK2CNR2
SCHEMBL12796229 0.77 CNR2 (0.50) KDM4ELMNAL3MBTL1LRRK2CNR2
SCHEMBL3380963 0.77 CNR2 (0.65) KDM4ELMNALRRK2CNR2
SCHEMBL541592 0.77 NFKB1 (0.52) KDM4ELMNALRRK2TSHRMAPT
SCHEMBL14051260 0.73 CNR1 (0.61) KDM4ELMNAL3MBTL1LRRK2GAA
SCHEMBL3378797 0.73 CNR2 (0.65) CNR2
SCHEMBL541905 0.73 LMNA (0.45) KDM4ELMNATSHRMEN1GAA
SCHEMBL9792231 0.72 KDM4E (0.77) KDM4ELMNAL3MBTL1TSHRMEN1
SCHEMBL3380961 0.72 CNR2 (0.63) LRRK2CNR2

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 10 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
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 KDM4E 2001/4885LMNA 4300/4885L3MBTL1 3546/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KDM4E 2694/4885LMNA 4294/4885L3MBTL1 3630/4885

“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.