SCHEMBL541577

SCHEMBL541577

O=C(c1cnc(NC23CC4(F)CC(F)(CC(F)(C4)C2)C3)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.40
CXCR4 P61073 1/20 0.39
VNN1 O95497 1/20 0.39
NR1H2 P55055 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
SCHEMBL542138 0.95 LRRK2 (0.38) LRRK2CXCR4VNN1NR1H2
SCHEMBL15397202 0.94 LRRK2 (0.39) LRRK2CXCR4VNN1NR1H2
SCHEMBL15397189 0.92 LRRK2 (0.37) LRRK2CXCR4VNN1NR1H2
SCHEMBL542025 0.90 LRRK2 (0.39) LRRK2CXCR4NR1H2
SCHEMBL541565 0.88 LRRK2 (0.38) LRRK2CXCR4NR1H2
SCHEMBL15397207 0.87 LRRK2 (0.37) LRRK2CXCR4VNN1NR1H2
SCHEMBL541983 0.87 CXCR4 (0.39) CXCR4VNN1
SCHEMBL541984 0.87 CXCR4 (0.39) CXCR4VNN1
SCHEMBL541449 0.84 HDAC3 (0.41) LRRK2CXCR4VNN1NR1H2
SCHEMBL15397170 0.83 LRRK2 (0.38) LRRK2CXCR4VNN1NR1H2

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 1659/4885CXCR4 350/4885VNN1 3256/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LRRK2 1707/4885CXCR4 206/4885VNN1 2974/4885

“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.