SCHEMBL13664472

SCHEMBL13664472

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1cc2ncccn2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.37
RHOC P08134 2/20 0.37
RHOA P61586 2/20 0.37
AR P10275 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NTRK1 P04629 2/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ORAI1 Q96D31 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
SCHEMBL13664386 0.91 MEN1 (0.40) MALT1MAPTGAAMEN1KMT2A
SCHEMBL13664471 0.90 KDM4E (0.46) MALT1RHOCRHOAARLMNA
SCHEMBL13664475 0.84 KCNH2 (0.40) RHOCRHOAARLMNAHTT
SCHEMBL13664435 0.83 RHOC (0.43) RHOCRHOAARLMNAHTT
SCHEMBL13664463 0.82 RHOC (0.42) RHOCRHOAARLMNAHTT
SCHEMBL13664378 0.80 KDM4E (0.48) MALT1LMNAMAPTGAAKDM4E
SCHEMBL13664276 0.80 MAPT (0.41) MALT1RHOCRHOAARLMNA
SCHEMBL13664474 0.80 RAB9A (0.43) RHOCRHOAARLMNAHTT
SCHEMBL13664330 0.80 KMT2A (0.52) MALT1MAPTGAAMEN1KMT2A
SCHEMBL13664437 0.80 RHOC (0.43) RHOCRHOALMNAHTTMAPT

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 MALT1 1857/4885RHOC 3602/4885RHOA 4704/4885

“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.