SCHEMBL541703

SCHEMBL541703

O=C(c1cnc(NC23CCC(CC2)C3)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.40
CNR2 P34972 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
VNN1 O95497 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR1H2 P55055 1/20 0.38
CXCR4 P61073 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
SCHEMBL15397212 0.93 LRRK2 (0.39) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL541449 0.90 HDAC3 (0.41) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL541926 0.87 CXCR4 (0.37) CNR2CYP2D6CYP2C19CYP1A2VNN1
SCHEMBL541925 0.87 CXCR4 (0.37) CNR2CYP2D6CYP2C19CYP1A2VNN1
SCHEMBL15397179 0.87 EPHX2 (0.43) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL15397171 0.87 LRRK2 (0.36) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL15397173 0.87 LRRK2 (0.36) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL15397214 0.86 LRRK2 (0.38) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL15397170 0.86 LRRK2 (0.38) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL542025 0.86 LRRK2 (0.39) LRRK2CNR2CYP2D6CYP2C19CYP1A2

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 LRRK2 1659/4885CNR2 1/4885CYP2D6 1635/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LRRK2 1707/4885CNR2 1/4885CYP2D6 1294/4885

“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.