SCHEMBL10145915

SCHEMBL10145915

FC(F)(F)c1nc(NC23CC4CC(CC(C4)C2)C3)ncc1CNCC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP2C9 P11712 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ VNN1 O95497 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL15397220 0.94 CNR2 (0.41) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL15397213 0.86 CNR2 (0.34) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL12796699 0.86 HDAC3 (0.35) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL541562 0.83 CNR2 (0.64) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10146173 0.82 HDAC6 (0.39) CNR2CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL12796701 0.82 L3MBTL1 (0.39) CNR2CYP2D6
SCHEMBL15397219 0.80 VNN1 (0.32) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10145250 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6GSK3A
SCHEMBL15397178 0.79 CNR2 (0.60) CNR2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL541487 0.78 LRRK2 (0.39) CNR2HDAC3HDAC1HDAC2HDAC6

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 4 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
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
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 CNR2 1/4885CYP1A2 1037/4885CYP2D6 1635/4885

“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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