SCHEMBL13328962

SCHEMBL13328962

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)Oc1ccc(Br)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
PDE10A Q9Y233 2/20 0.39
MTHFD2 P13995 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
FAAH O00519 3/20 0.38
USP2 O75604 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 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
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
PDE4A P27815 1/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
PDE11A Q9HCR9 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
SCHEMBL13328913 0.93 MGLL (0.47) MGLLPDE10AMTHFD2TRPV1FAAH
SCHEMBL13249814 0.93 MGLL (0.41) MGLLPDE10ATRPV1FAAHUSP2
SCHEMBL13328918 0.93 MGLL (0.42) MGLLPDE10AMTHFD2TRPV1FAAH
SCHEMBL13328927 0.92 MGLL (0.42) MGLLPDE10AMTHFD2TRPV1FAAH
SCHEMBL13250041 0.92 MGLL (0.41) MGLLTRPV1FAAHUSP2CYP3A4
SCHEMBL13328926 0.91 PRLHR (0.44) MGLLPDE10APRLHR
SCHEMBL13328920 0.91 MGLL (0.41) MGLLPDE10AMTHFD2TRPV1FAAH
SCHEMBL13328946 0.88 MEN1 (0.42) MGLLPDE10AMTHFD2PRLHR
SCHEMBL13328933 0.88 MGLL (0.56) MGLLTRPV1FAAH
SCHEMBL13250094 0.88 MGLL (0.39) MGLLTRPV1FAAHUSP2CYP3A4

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-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 MGLL 1341/4885PDE10A 1348/4885MTHFD2 1017/4885

“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.