SCHEMBL13664375

SCHEMBL13664375

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3c[nH]c4ccccc34)c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
KDM1A O60341 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
SIRT1 Q96EB6 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL13664380 0.91 HDAC1 (0.39) BCHEACHEMAPTPOLBGAA
SCHEMBL13664410 0.87 POLB (0.40) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664371 0.87 POLB (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664348 0.87 POLB (0.42) MEN1KMT2AMAPTPOLBGAA
SCHEMBL13664576 0.87 BCHE (0.41) BCHEACHESIRT1MEN1NPC1
SCHEMBL13664396 0.86 MAPT (0.41) MEN1KMT2AMAPTPOLBGAA
SCHEMBL13664329 0.86 CNR1 (0.46) MEN1NPC1KMT2AMAPTPOLB
SCHEMBL13664143 0.86 POLB (0.46) MEN1NPC1KMT2AMAPTPOLB
SCHEMBL13664373 0.86 POLB (0.46) MEN1NPC1KMT2AMAPTPOLB
SCHEMBL13664365 0.86 CFTR (0.46) RAB9AMAPTPOLBGAATDP1

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 BCHE 4209/4885ACHE 4707/4885KDM1A 3677/4885

“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.