SCHEMBL13664155

SCHEMBL13664155

Cc1ccccc1-n1nc(C(=O)O)c(C#N)c1N

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 8/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
MAPK14 Q16539 1/20 0.45
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38

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 0.82 KDM4E (0.60) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL5090417 0.80 KMT2A (0.56) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL8915404 0.78 ALDH1A1 (0.49) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL22904177 0.75 MAPT (0.64) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL13664157 0.74 GAA (0.58) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL13664209 0.73 MAPT (0.58) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL13664169 0.72 ALDH1A1 (0.46) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL18988298 0.72 ADORA1 (0.48) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL13664164 0.72 MAPK14 (0.49) KDM4EALOX15HSD17B10MAPTMAPK1
SCHEMBL13664172 0.71 MAPT (0.64) KDM4EHSD17B10MAPTALDH1A1HPGD

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 KDM4E 3380/4885ALOX15 3066/4885HSD17B10 1099/4885

“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.