SCHEMBL13664607

SCHEMBL13664607

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNCc3ccc4ccccc4c3)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 7/20 0.38
DHODH Q02127 1/20 0.38
CNR2 P34972 4/20 0.37
ABCB1 P08183 3/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL13664150 0.91 CNR1 (0.43) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664561 0.91 MAPT (0.37) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664568 0.90 CNR1 (0.45) ACHEMAPTPOLBGAATDP1
SCHEMBL13664431 0.90 MAPT (0.39) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664527 0.89 GAA (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664566 0.88 ABCB1 (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664578 0.88 GAA (0.38) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664574 0.88 CNR1 (0.36) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664409 0.88 SLC6A4 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664572 0.87 POLB (0.41) 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 BCHE 4209/4885ACHE 4707/4885MAPT 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.