SCHEMBL13664157

SCHEMBL13664157

CC(=O)c1nn(-c2ccccc2)c(N)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MAPT P10636 7/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RIPK1 Q13546 2/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL12100341 0.88 KDM4E (0.60) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL13664172 0.82 MAPT (0.64) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL13664159 0.82 KDM4E (0.71) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL14133233 0.82 KDM4E (0.53) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL13664156 0.81 MAPT (0.51) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL15716427 0.79 HPGD (0.51) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL2546236 0.79 GAA (0.68) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL14668515 0.78 KDM4E (0.82) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL15072245 0.77 HCRTR1 (0.39) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL11546523 0.77 GAA (0.65) GAAMAPTALDH1A1HPGDLMNA

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 1 patent. 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

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 GAA 2005/4885MAPT 4701/4885ALDH1A1 3415/4885

“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.