SCHEMBL12796293

SCHEMBL12796293

O=C(c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1C(F)(F)F)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ SCN9A Q15858 2/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIK3CD O00329 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL15397179 0.95 EPHX2 (0.43) EPHX2SCN9ASCN10AL3MBTL3L3MBTL1
SCHEMBL541449 0.92 HDAC3 (0.41) EPHX2MEN1KMT2AVNN1HDAC3
SCHEMBL15397212 0.87 LRRK2 (0.39) EPHX2VNN1CYP2D6CYP2C19CNR2
SCHEMBL12796272 0.86 MAPK8 (0.45) EPHX2VNN1HDAC3HDAC1HDAC2
SCHEMBL541695 0.85 VNN1 (0.45) EPHX2VNN1HDAC3HDAC1HDAC2
SCHEMBL541714 0.85 LRRK2 (0.38) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL541779 0.85 LRRK2 (0.38) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL541715 0.84 HDAC3 (0.40) EPHX2VNN1HDAC3HDAC1HDAC2
SCHEMBL541703 0.84 LRRK2 (0.40) VNN1CYP2D6CYP2C19CNR2CYP1A2
SCHEMBL541776 0.83 GAA (0.41) EPHX2L3MBTL1VNN1HDAC3HDAC1

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-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

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 339/4885SCN9A 1900/4885SCN10A 1870/4885

“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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