SCHEMBL10146173

SCHEMBL10146173

OCCNCc1cnc(NC23CC4CC(CC(C4)C2)C3)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ GSK3A P49840 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TYRO3 Q06418 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ PRKCQ Q04759 2/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 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
SCHEMBL15397215 0.93 HDAC3 (0.34) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL12796705 0.86 TSHR (0.38) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL10145250 0.86 HDAC3 (0.44) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL10145915 0.82 CNR2 (0.44) HDAC6HDAC3HDAC1HDAC2GSK3A
SCHEMBL12796701 0.82 L3MBTL1 (0.39) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL542037 0.81 HDAC3 (0.41) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL12796714 0.81 TRPV3 (0.39) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL15397216 0.80 CYP1A2 (0.35) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL12796711 0.79 TYRO3 (0.44) HDAC6HDAC3HDAC1HDAC2GABBR2
SCHEMBL15397163 0.79 HDAC3 (0.38) HDAC6HDAC3HDAC1HDAC2GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HDAC6 3999/4885HDAC3 2151/4885HDAC1 3139/4885

“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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