SCHEMBL12796701

SCHEMBL12796701

FC(F)(F)c1nc(NC23CC4CC(CC(C4)C2)C3)ncc1CNCCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX2 P34913 7/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL541487 0.86 LRRK2 (0.39) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL10146173 0.82 HDAC6 (0.39) L3MBTL1EPHX2CNR2TSHRMEN1
SCHEMBL10145915 0.82 CNR2 (0.44) CYP2D6CNR2
SCHEMBL12796304 0.81 EPHX2 (0.48) EPHX2CYP2D6CNR2TSHR
SCHEMBL15397167 0.80 LRRK2 (0.36) EPHX2CNR2CNR1MEN1KMT2A
SCHEMBL15397213 0.80 CNR2 (0.34) CYP2D6CNR2
SCHEMBL12796705 0.79 TSHR (0.38) L3MBTL1EPHX2TSHRCHEK1MEN1
SCHEMBL12796699 0.79 HDAC3 (0.35) CYP2D6CNR2
SCHEMBL15397220 0.77 CNR2 (0.41) CYP2D6CNR2
SCHEMBL10145275 0.76 TYRO3 (0.38) L3MBTL1SIGMAR1TSHRALDH1A1

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 L3MBTL1 3546/4885EPHX2 339/4885SIGMAR1 720/4885

“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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