SCHEMBL12848637

SCHEMBL12848637

C[C@@H]1COC[C@H](C)N1Cc1cnc(NC23CC4CC(CC(C4)C2)C3)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TYRO3 Q06418 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL12796747 0.93 TYRO3 (0.32) GABBR2GABBR1TYRO3
SCHEMBL12848951 0.82 GAA (0.36) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL541487 0.81 LRRK2 (0.39) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL10145275 0.79 TYRO3 (0.38) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL542037 0.78 HDAC3 (0.41) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL10145250 0.78 HDAC3 (0.44) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL12848952 0.77 HDAC3 (0.36) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL12796719 0.76 GSK3A (0.39) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL12796741 0.76 LMNA (0.33) GABBR2GABBR1TYRO3LMNAGAA
SCHEMBL541700 0.76 HDAC3 (0.37) GABBR2GABBR1HDAC3HDAC1HDAC2

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 GABBR2 254/4885GABBR1 378/4885HDAC3 2151/4885

“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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