SCHEMBL13664406

SCHEMBL13664406

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)Cc3cccc(Cl)c3)c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 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
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.38
KMT2A Q03164 2/20 0.37
CNR1 P21554 7/20 0.37
TSHR P16473 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13664405 0.92 MAPT (0.42) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664362 0.92 MAPT (0.42) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664431 0.90 MAPT (0.39) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664568 0.89 CNR1 (0.45) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664368 0.88 KMT2A (0.39) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664372 0.88 CNR1 (0.47) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664488 0.88 PTGS2 (0.41) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664401 0.88 ABCB1 (0.41) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664404 0.87 CNR1 (0.46) ABCB1MAPTPOLBGAATDP1
SCHEMBL13664514 0.87 MAPT (0.42) ABCB1MAPTPOLBGAATDP1

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 ABCB1 3329/4885MAPT 4701/4885POLB 4851/4885

“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.