SCHEMBL13329148

SCHEMBL13329148

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccn1)CN(Cc1ccc(Br)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 7/20 0.46
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADORA2A P29274 1/20 0.41
CFTR P13569 7/20 0.39
C5AR1 P21730 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13329143 0.91 CLPP (0.52) CLPPTP53MAPTCYP1A2GAA
SCHEMBL13329591 0.89 CLPP (0.48) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13328895 0.89 CLPP (0.48) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13329144 0.84 CFTR (0.45) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13328799 0.84 CYP1A2 (0.53) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13329135 0.83 FAAH (0.37) CLPPMAPTCYP1A2GAACYP2C9
SCHEMBL13329127 0.82 CLPP (0.48) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL13329025 0.82 CLPP (0.51) CLPPMAPTCYP1A2GAACYP2C9
SCHEMBL13329156 0.82 CYP1A2 (0.47) CLPPTP53MAPTCYP1A2GAA
SCHEMBL13249828 0.82 CLPP (0.44) CLPP

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 CLPP 4609/4885TP53 4724/4885MAPT 4832/4885

“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.