SCHEMBL541772

SCHEMBL541772

O=C(c1cnc(NC23CC4CC(CC(O)(C4)C2)C3)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.43
GSK3B P49841 5/20 0.43
EPHX2 P34913 1/20 0.38
LRRK2 Q5S007 10/20 0.38
HSD11B1 P28845 2/20 0.38
AURKA O14965 1/20 0.37
NR1H2 P55055 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
SCHEMBL15397214 0.92 LRRK2 (0.38) GSK3AGSK3BEPHX2LRRK2HSD11B1
SCHEMBL541565 0.91 LRRK2 (0.38) LRRK2NR1H2
SCHEMBL541449 0.91 HDAC3 (0.41) EPHX2LRRK2NR1H2
SCHEMBL6526718 0.89 GSK3A (0.43) GSK3AGSK3BEPHX2LRRK2AURKA
SCHEMBL541918 0.88 GSK3A (0.43) GSK3AGSK3BEPHX2AURKA
SCHEMBL541919 0.88 GSK3A (0.43) GSK3AGSK3BEPHX2HSD11B1AURKA
SCHEMBL12796535 0.88 LRRK2 (0.41) LRRK2NR1H2
SCHEMBL541277 0.87 GSK3A (0.44) GSK3AGSK3BEPHX2AURKA
SCHEMBL15397170 0.86 LRRK2 (0.38) LRRK2NR1H2
SCHEMBL12796544 0.86 LRRK2 (0.39) LRRK2NR1H2

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 8 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
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 GSK3A 4502/4885GSK3B 4534/4885EPHX2 339/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 GSK3A 4281/4885GSK3B 4275/4885EPHX2 232/4885

“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.