SCHEMBL13664207

SCHEMBL13664207

N#Cc1c(C(=O)c2ccc3c(c2)OCO3)nn(-c2c(Br)cc(F)cc2Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.42
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IGFBP3 P17936 2/20 0.38
SRD5A2 P31213 1/20 0.37
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL13664211 0.85 ADORA2A (0.47) MELKADORA2AADORA1CASP3SENP7
SCHEMBL13664185 0.80 LMNA (0.46) MELKADORA2AADORA1IGFBP3SRD5A2
SCHEMBL13664202 0.74 MAOB (0.45) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL13664281 0.71 MAPT (0.40) MELKADORA2AADORA1CASP3SENP7
SCHEMBL13664196 0.69 MAPK14 (0.50) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL13664175 0.66 MAPK14 (0.63) HPGDTP53MEN1KMT2AKDM4E
SCHEMBL13664162 0.65 MEN1 (0.51) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL13664179 0.65 MAPT (0.50) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL13664177 0.65 MAPT (0.50) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL13664218 0.64 CNR1 (0.45) MEN1KMT2AKDM4EGAANPSR1

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 MELK 1358/4885ADORA2A 1245/4885ADORA1 1501/4885

“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.