SCHEMBL12796303

SCHEMBL12796303

O=C(Nc1ccc(N2CCOCC2)cc1)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ DGAT1 O75907 2/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ AXL P30530 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ PDE4B Q07343 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE11A Q9HCR9 1/20 0.42
▸ ATF1 P18846 1/20 0.42

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
SCHEMBL15397186 0.94 EPHX2 (0.48) EPHX2DGAT1MAPTALDH1A1JAK2
SCHEMBL541449 0.81 HDAC3 (0.41) EPHX2CYP1A2CNR2
SCHEMBL12796304 0.80 EPHX2 (0.48) EPHX2TYRO3MERTKGAS6PDE4B
SCHEMBL12796293 0.78 EPHX2 (0.45) EPHX2CYP1A2CNR2
SCHEMBL541562 0.76 CNR2 (0.64) CYP1A2CNR2
SCHEMBL15397212 0.76 LRRK2 (0.39) EPHX2ALDH1A1CYP1A2CNR2
SCHEMBL542126 0.75 HDAC3 (0.49) EPHX2MAPTALDH1A1JAK2NFKB1
SCHEMBL541714 0.75 LRRK2 (0.38) CYP1A2CNR2
SCHEMBL541779 0.75 LRRK2 (0.38) CYP1A2CNR2
SCHEMBL15397187 0.75 EPHX2 (0.45) EPHX2TYRO3MERTKGAS6PDE4B

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 EPHX2 339/4885DGAT1 1147/4885MAPT 2938/4885

“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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