SCHEMBL13250041

SCHEMBL13250041

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)Oc1ccc(Br)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
USP2 O75604 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PLA2G4A P47712 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13328962 0.92 MGLL (0.41) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13249814 0.92 MGLL (0.41) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13250009 0.87 MGLL (0.37) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13250094 0.87 MGLL (0.39) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13250001 0.86 MGLL (0.37) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13249994 0.85 LIPE (0.40) TRPV1
SCHEMBL13328913 0.84 MGLL (0.47) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13249795 0.84 MGLL (0.47) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13249837 0.84 MGLL (0.36) MGLLUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13249797 0.83 MGLL (0.42) MGLLUSP2CYP3A4CYP1A2ALDH1A1

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 MGLL 882/4885USP2 4079/4885CYP3A4 2495/4885

“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.