SCHEMBL13664463

SCHEMBL13664463

COc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C(F)(F)F)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
RAD52 P43351 1/20 0.41
DGAT1 O75907 1/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CFTR P13569 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NR3C1 P04150 1/20 0.40
ABCB1 P08183 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL13664435 0.92 RHOC (0.43) RHOCRHOATHRBDGAT1KMT2A
SCHEMBL13664310 0.91 CFTR (0.46) RAD52KMT2AGAAMAPTCFTR
SCHEMBL13664398 0.90 NPC1 (0.46) RAD52KMT2AGAAMAPTCFTR
SCHEMBL13664462 0.88 NPC1 (0.42) RAD52DGAT1LMNAGAAMAPT
SCHEMBL13664373 0.86 POLB (0.46) KMT2ALMNAGAAMAPTMEN1
SCHEMBL13664143 0.86 POLB (0.46) KMT2ALMNAGAAMAPTMEN1
SCHEMBL13664458 0.85 CFTR (0.43) RAD52LMNAGAAMAPTCFTR
SCHEMBL13664276 0.85 MAPT (0.41) RHOCRHOAKMT2ALMNAHTT
SCHEMBL13664474 0.85 RAB9A (0.43) RHOCRHOAKMT2ALMNAHTT
SCHEMBL13664437 0.85 RHOC (0.43) RHOCRHOATHRBKMT2ALMNA

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 RHOC 3602/4885RHOA 4704/4885TP53 4001/4885

“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.