SCHEMBL13664296

SCHEMBL13664296

COC(=O)CCNc1c(C#N)c(C(=O)c2ccc(C)cc2)nn1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM5B Q9UGL1 1/20 0.36
USP2 O75604 1/20 0.36
XDH P47989 1/20 0.36
CNR1 P21554 2/20 0.35
NPC1 O15118 1/20 0.35
ABCB1 P08183 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 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
SCHEMBL13664248 0.92 GAA (0.47) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664249 0.91 GAA (0.46) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664308 0.90 GAA (0.48) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664307 0.89 GAA (0.48) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664271 0.88 GAA (0.49) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664506 0.86 MAPT (0.46) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664270 0.86 GAA (0.48) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664491 0.86 GAA (0.46) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664524 0.86 MAPT (0.46) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664295 0.86 GAA (0.46) GAAMAPTPOLBTDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R GAA 2005/4885MAPT 4701/4885POLB 4851/4885

“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.