SCHEMBL13664416

SCHEMBL13664416

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCN(C)C(=O)c3ccc4cc[nH]c4c3)c2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD4 P21917 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MALT1 Q9UDY8 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRIA2 P42262 1/20 0.32
RAD52 P43351 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL13664363 0.89 MAPT (0.42) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664148 0.88 POLB (0.41) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664578 0.85 GAA (0.38) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664402 0.85 MAPT (0.39) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664418 0.84 HRH4 (0.39) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664579 0.84 GAA (0.37) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664574 0.81 CNR1 (0.36) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664473 0.81 HDAC1 (0.42) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664541 0.80 GAA (0.35) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664307 0.80 GAA (0.48) GAAPOLBMAPTTDP1L3MBTL1

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 2005/4885POLB 4851/4885MAPT 4701/4885

“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.