SCHEMBL13664471

SCHEMBL13664471

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1cc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TP53 P04637 5/20 0.41
AR P10275 1/20 0.39
DRD2 P14416 5/20 0.39
DRD4 P21917 5/20 0.39
DRD3 P35462 5/20 0.39
DRD1 P21728 3/20 0.39
HTR2A P28223 3/20 0.39
DRD5 P21918 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13664378 0.91 KDM4E (0.48) KDM4ETP53DRD2DRD4DRD3
SCHEMBL13664472 0.90 MALT1 (0.37) KDM4EARLMNAMAPTHTT
SCHEMBL13664435 0.84 RHOC (0.43) KDM4EARLMNAMAPTHTT
SCHEMBL13664463 0.82 RHOC (0.42) TP53ARDRD2DRD4LMNA
SCHEMBL13664475 0.81 KCNH2 (0.40) KDM4EARDRD3HTR2ALMNA
SCHEMBL13664276 0.80 MAPT (0.41) KDM4EARLMNAMAPTHTT
SCHEMBL13664474 0.80 RAB9A (0.43) ARLMNAMAPTHTTSMN1; SMN2
SCHEMBL13664386 0.80 MEN1 (0.40) KDM4EMAPTMALT1MEN1GAA
SCHEMBL13664437 0.80 RHOC (0.43) KDM4EDRD2DRD4LMNAMAPT
SCHEMBL13664147 0.80 RHOC (0.40) KDM4EARLMNAMAPTHTT

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 3380/4885TP53 4001/4885AR 97/4885

“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.