SCHEMBL541700

SCHEMBL541700

OS1(O)CCN(Cc2cnc(NC34CC5CC(CC(C5)C3)C4)nc2C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ TYRO3 Q06418 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL541701 0.90 KMT2A (0.40) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL10145275 0.87 TYRO3 (0.38) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796719 0.87 GSK3A (0.39) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL541487 0.85 LRRK2 (0.39) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12848952 0.85 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796750 0.84 KMT2A (0.36) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL15397221 0.81 GSK3A (0.37) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796717 0.81 TSHR (0.38) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796743 0.81 TYRO3 (0.36) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL10145250 0.80 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP claimed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US claimed
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
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

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 HDAC3 2151/4885HDAC1 3139/4885HDAC2 1224/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HDAC3 2660/4885HDAC1 3988/4885HDAC2 1788/4885

“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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