SCHEMBL12796719

SCHEMBL12796719

OC1CCN(Cc2cnc(NC34CC5CC(CC(C5)C3)C4)nc2C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 5/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MAPK8 P45983 3/20 0.37
▸ TYRO3 Q06418 2/20 0.35
▸ CXCR3 P49682 1/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34
▸ MAPK9 P45984 2/20 0.33
▸ EPHX1 P07099 2/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FLT3 P36888 2/20 0.32

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
SCHEMBL15397221 0.94 GSK3A (0.37) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL10145275 0.88 TYRO3 (0.38) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL12796717 0.88 TSHR (0.38) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL541700 0.87 HDAC3 (0.37) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL541487 0.86 LRRK2 (0.39) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12848952 0.86 HDAC3 (0.36) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL541701 0.84 KMT2A (0.40) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL12796743 0.84 TYRO3 (0.36) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL15397224 0.83 TSHR (0.36) GSK3AGSK3BHDAC3HDAC1HDAC2
SCHEMBL12796746 0.83 TYRO3 (0.32) GSK3AGSK3BHDAC3HDAC1HDAC2

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 3 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
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 GSK3A 4502/4885GSK3B 4534/4885HDAC3 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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