SCHEMBL13664497

SCHEMBL13664497

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNCc3ccccn3)c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RIPK1 Q13546 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
P2RX7 Q99572 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
ABCB1 P08183 2/20 0.35
DHODH Q02127 1/20 0.35
VNN1 O95497 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL13664499 0.91 MAPT (0.41) L3MBTL1MAPTPOLBGAATDP1
SCHEMBL13664564 0.91 GAA (0.39) L3MBTL1MAPTPOLBGAATDP1
SCHEMBL13664494 0.89 RIPK1 (0.44) TP53L3MBTL1MAPTPOLBGAA
SCHEMBL13664150 0.89 CNR1 (0.43) L3MBTL1MAPTPOLBGAATDP1
SCHEMBL13664572 0.88 POLB (0.41) TP53L3MBTL1MAPTPOLBGAA
SCHEMBL13664570 0.87 MAPT (0.38) TP53L3MBTL1MAPTPOLBGAA
SCHEMBL13664330 0.87 KMT2A (0.52) L3MBTL1MAPTPOLBGAATDP1
SCHEMBL13664498 0.86 GAA (0.41) L3MBTL1MAPTPOLBGAATDP1
SCHEMBL13664575 0.86 MAPT (0.37) TP53L3MBTL1MAPTPOLBGAA
SCHEMBL13664500 0.85 ABCB1 (0.43) TP53L3MBTL1MAPTPOLBGAA

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 TP53 4001/4885L3MBTL1 3707/4885MAPT 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.