SCHEMBL13664333

SCHEMBL13664333

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ncccn3)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.37
CNR1 P21554 5/20 0.37
DHODH Q02127 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
TP53 P04637 1/20 0.36
RIPK1 Q13546 1/20 0.36
ABCB1 P08183 2/20 0.36
CNR2 P34972 2/20 0.36
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL13664330 0.92 KMT2A (0.52) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664373 0.92 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664143 0.92 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664329 0.90 CNR1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664403 0.90 L3MBTL1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664393 0.90 LMNA (0.45) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664332 0.89 L3MBTL1 (0.43) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664379 0.89 TDP1 (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664359 0.88 POLB (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664352 0.88 GAA (0.44) 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.