SCHEMBL541692

SCHEMBL541692

CC12CC3CC(C)(C1)CC(Nc1ncc(C(=O)N4CCOCC4)c(C(F)(F)F)n1)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
CXCR4 P61073 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
SCHEMBL15397208 0.95 LRRK2 (0.39) LRRK2KDM4EALDH1A1NPSR1EPHX2
SCHEMBL542025 0.88 LRRK2 (0.39) LRRK2NR1H2CXCR4
SCHEMBL541449 0.87 HDAC3 (0.41) LRRK2EPHX2MEN1KMT2ANR1H2
SCHEMBL541703 0.85 LRRK2 (0.40) LRRK2NR1H2CXCR4
SCHEMBL541565 0.84 LRRK2 (0.38) LRRK2NR1H2CXCR4
SCHEMBL541772 0.84 GSK3A (0.43) LRRK2EPHX2NR1H2
SCHEMBL15397207 0.83 LRRK2 (0.37) LRRK2NR1H2CXCR4
SCHEMBL15397212 0.83 LRRK2 (0.39) LRRK2ALDH1A1EPHX2NR1H2CXCR4
SCHEMBL12796535 0.82 LRRK2 (0.41) LRRK2NR1H2CXCR4
SCHEMBL541714 0.82 LRRK2 (0.38) LRRK2NR1H2CXCR4

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 LRRK2 1659/4885KDM4E 2001/4885ALDH1A1 3897/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LRRK2 1707/4885KDM4E 2694/4885ALDH1A1 4050/4885

“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.