SCHEMBL13664273

SCHEMBL13664273

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(F)cc2)c1NCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
UBE2N P61088 1/20 0.40
VNN1 O95497 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
AR P10275 3/20 0.37
MAPK14 Q16539 1/20 0.37
SCN9A Q15858 1/20 0.37
ENPP2 Q13822 1/20 0.35
FPR1 P21462 1/20 0.35
P2RY14 Q15391 2/20 0.35
OPRD1 P41143 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 1/20 0.34
MGAT2 Q10469 1/20 0.34
NR3C1 P04150 1/20 0.33

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
SCHEMBL13664276 0.92 MAPT (0.41) MEN1GAAKMT2AVNN1CA1
SCHEMBL13664274 0.89 GAA (0.48) MEN1GAAKMT2AUBE2NCA1
SCHEMBL13664281 0.82 MAPT (0.40) MEN1GAAKMT2AMAPTALDH1A1
SCHEMBL13664455 0.81 ESR1 (0.39) MEN1GAAKMT2AUBE2NAR
SCHEMBL13664191 0.80 MAPK14 (0.48) MEN1GAAKMT2AUBE2NVNN1
SCHEMBL13664277 0.80 MAPT (0.43) MEN1GAAKMT2ACA1CA2
SCHEMBL13664270 0.80 GAA (0.48) MEN1GAAKMT2AMAPTALDH1A1
SCHEMBL13664435 0.79 RHOC (0.43) MEN1GAAKMT2AARMAPT
SCHEMBL13664463 0.78 RHOC (0.42) MEN1GAAKMT2AARMAPT
SCHEMBL13664272 0.77 GAA (0.47) MEN1GAAKMT2AMAPTALDH1A1

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 MEN1 3462/4885GAA 2005/4885KMT2A 3722/4885

“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.