SCHEMBL13328795

SCHEMBL13328795

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 2/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
VCP P55072 3/20 0.38
CCR5 P51681 1/20 0.37
HTR2A P28223 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL13249768 0.90 SIGMAR1 (0.41) SIGMAR1HTR2CHTR2BTNKS2VCP
SCHEMBL13250038 0.88 KMT2A (0.37) SIGMAR1HTR2AMAPTKMT2A
SCHEMBL13329605 0.85 SIGMAR1 (0.38) SIGMAR1HTR2CHTR2BTNKSTNKS2
SCHEMBL13329622 0.85 HTR2C (0.37) SIGMAR1HTR2CHTR2BTNKSTNKS2
SCHEMBL13329595 0.84 SIGMAR1 (0.39) SIGMAR1HTR2CHTR2BTNKSTNKS2
SCHEMBL13329561 0.78 KMT2A (0.42) HTR2CHTR2BCCR5HTR2AMAPT
SCHEMBL13329649 0.76 NPSR1 (0.36) MAPTKMT2A
SCHEMBL14047840 0.75 SIGMAR1 (0.39) SIGMAR1HTR2CHTR2BTNKS2HTR2A
SCHEMBL13360732 0.75 MTHFD2 (0.46) CCR5KMT2A
SCHEMBL13329353 0.75 ALDH1A1 (0.46) HTR2AKMT2A

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 SIGMAR1 1935/4885HTR2C 721/4885HTR2B 637/4885

“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.