SCHEMBL12848951

SCHEMBL12848951

C[C@@H]1CN(Cc2cnc(NC34CC5CC(CC(C5)C3)C4)nc2C(F)(F)F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GABBR2 O75899 1/20 0.35
▸ GABBR1 Q9UBS5 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ IDH1 O75874 1/20 0.31

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
SCHEMBL12796741 0.93 LMNA (0.33) GAALMNAGABBR2GABBR1TDP1
SCHEMBL541487 0.83 LRRK2 (0.39) LMNAGABBR2GABBR1HDAC3HDAC1
SCHEMBL10145275 0.83 TYRO3 (0.38) GAALMNAGABBR2GABBR1HDAC3
SCHEMBL12848637 0.82 GABBR2 (0.35) GAALMNAGABBR2GABBR1HDAC3
SCHEMBL12848952 0.81 HDAC3 (0.36) GAALMNAGABBR2GABBR1HDAC3
SCHEMBL12796719 0.80 GSK3A (0.39) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL541701 0.80 KMT2A (0.40) LMNAGABBR2GABBR1HDAC3HDAC1
SCHEMBL541700 0.80 HDAC3 (0.37) LMNAGABBR2GABBR1HDAC3HDAC1
SCHEMBL12796717 0.79 TSHR (0.38) GAAGABBR2GABBR1HDAC3HDAC1
SCHEMBL542037 0.78 HDAC3 (0.41) GAALMNAGABBR2GABBR1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GAA 4438/4885LMNA 4300/4885GABBR2 254/4885

“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.

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