SCHEMBL13664459

SCHEMBL13664459

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc(Br)cc3)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
AR P10275 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 1/20 0.37
MALT1 Q9UDY8 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
SCHEMBL13664143 0.96 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664373 0.96 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664403 0.94 L3MBTL1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664352 0.92 GAA (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664329 0.92 CNR1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664359 0.92 POLB (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664400 0.92 POLB (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664351 0.92 POLB (0.45) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664332 0.92 L3MBTL1 (0.43) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664354 0.92 POLB (0.43) MAPTPOLBGAATDP1L3MBTL1

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 MAPT 4701/4885POLB 4851/4885GAA 2005/4885

“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.