SCHEMBL13664359

SCHEMBL13664359

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
ABCB1 P08183 1/20 0.42
CNR1 P21554 6/20 0.42
AR P10275 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37

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 0.97 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664373 0.97 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664403 0.95 L3MBTL1 (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664329 0.93 CNR1 (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664400 0.93 POLB (0.44) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664352 0.93 GAA (0.44) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664351 0.92 POLB (0.45) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664332 0.92 L3MBTL1 (0.43) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664459 0.92 MAPT (0.43) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664354 0.92 POLB (0.43) POLBGAAMAPTTDP1L3MBTL1

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 POLB 4851/4885GAA 2005/4885MAPT 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.