SCHEMBL13329622

SCHEMBL13329622

Nc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CNCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.37
HTR2B P41595 4/20 0.37
HTR2A P28223 2/20 0.37
SIGMAR1 Q99720 7/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
PARP1 P09874 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
SCHEMBL14047840 0.90 SIGMAR1 (0.39) HTR2CHTR2BHTR2ASIGMAR1TNKS2
SCHEMBL13328795 0.85 SIGMAR1 (0.39) HTR2CHTR2BHTR2ASIGMAR1TNKS
SCHEMBL13329605 0.85 SIGMAR1 (0.38) HTR2CHTR2BHTR2ASIGMAR1TNKS
SCHEMBL14047930 0.84 HTR2A (0.42) HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL13329595 0.82 SIGMAR1 (0.39) HTR2CHTR2BHTR2ASIGMAR1TNKS
SCHEMBL14047939 0.78 SIGMAR1 (0.41) HTR2CHTR2BHTR2ASIGMAR1TNKS2
SCHEMBL13329638 0.77 HTR2A (0.31) HTR2AMAPTMEN1KMT2A
SCHEMBL14046797 0.77 MAPT (0.44) HTR2CHTR2BHTR2AMAPTMEN1
SCHEMBL13249768 0.75 SIGMAR1 (0.41) HTR2CHTR2BHTR2ASIGMAR1TNKS2
SCHEMBL14047934 0.75 HTR2A (0.31) HTR2AMAPTMEN1KMT2A

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 5 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
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 HTR2C 721/4885HTR2B 637/4885HTR2A 325/4885

“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.