SCHEMBL541487

SCHEMBL541487

FC(F)(F)c1nc(NC23CC4CC(CC(C4)C2)C3)ncc1CN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CNR2 P34972 5/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34
▸ CXCR4 P61073 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15397167 0.93 LRRK2 (0.36) LRRK2NR1H2CNR2CNR1HIF1A
SCHEMBL10145275 0.89 TYRO3 (0.38) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12848952 0.87 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL12796719 0.86 GSK3A (0.39) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796701 0.86 L3MBTL1 (0.39) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL541701 0.85 KMT2A (0.40) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL541700 0.85 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12848951 0.83 GAA (0.36) LRRK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL12796743 0.82 TYRO3 (0.36) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796720 0.82 CNR2 (0.45) CNR2

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 1659/4885NR1H2 286/4885HDAC3 2151/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LRRK2 1707/4885NR1H2 401/4885HDAC3 2660/4885

“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.

Send feedback