SCHEMBL13664278

SCHEMBL13664278

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3I)c(NCCCN)c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 10/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13664270 0.86 GAA (0.48) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664272 0.83 GAA (0.47) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664200 0.82 MAPT (0.42) CNR1MAPTKDM4EMEN1MAPK1
SCHEMBL13664481 0.82 L3MBTL1 (0.43) CNR1CNR2POLBGAATDP1
SCHEMBL13664271 0.80 GAA (0.49) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664274 0.79 GAA (0.48) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL13664525 0.77 MAPT (0.42) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664277 0.77 MAPT (0.43) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664506 0.77 MAPT (0.46) CNR1MAPTKDM4EMEN1KMT2A
SCHEMBL13664491 0.77 GAA (0.46) CNR1MAPTKDM4EMEN1KMT2A

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 CNR1 367/4885MAPT 4701/4885KDM4E 3380/4885

“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.