SCHEMBL13329638

SCHEMBL13329638

CC1Cc2nc(N)n(C(c3ccccc3)c3ccccc3)c(=O)c2CN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
MCHR1 Q99705 1/20 0.31
RAB9A P51151 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14047934 0.91 HTR2A (0.31) HTR2ARAB9AMEN1KMT2AKDM4E
SCHEMBL13329622 0.77 HTR2C (0.37) HTR2AMEN1KMT2AMAPT
SCHEMBL14047840 0.75 SIGMAR1 (0.39) HTR2AMEN1KMT2A
SCHEMBL13329636 0.72 MEN1 (0.35) MEN1KMT2A
SCHEMBL14046797 0.71 MAPT (0.44) HTR2AMEN1KMT2AKDM4EMAPT
SCHEMBL14047930 0.70 HTR2A (0.42) HTR2A
SCHEMBL13250488 0.69 HTR2A (0.32) HTR2AMEN1KMT2AKDM4EMAPT
SCHEMBL13250038 0.68 KMT2A (0.37) HTR2ARAB9AMEN1KMT2AKDM4E
SCHEMBL13250046 0.66 PARP1 (0.47) KDM4EMAPT
SCHEMBL13328858 0.66 CYP2D6 (0.42)

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 HTR2A 325/4885MCHR1 956/4885RAB9A 1703/4885

“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.