SCHEMBL13664378

SCHEMBL13664378

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3cc4ccccn4n3)c2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
TP53 P04637 5/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DHODH Q02127 1/20 0.40
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 3/20 0.39
DRD3 P35462 3/20 0.39
MALT1 Q9UDY8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL13664471 0.91 KDM4E (0.46) KDM4ETP53MAPTSMN1; SMN2DRD2
SCHEMBL13664386 0.89 MEN1 (0.40) KDM4EMAPTDHODHMALT1HSD17B10
SCHEMBL13664575 0.87 MAPT (0.37) KDM4ETP53MAPTSMN1; SMN2DHODH
SCHEMBL13664330 0.86 KMT2A (0.52) MAPTSMN1; SMN2DHODHMALT1POLB
SCHEMBL13664329 0.86 CNR1 (0.46) KDM4EMAPTNPC1SMN1; SMN2DHODH
SCHEMBL13664373 0.86 POLB (0.46) MAPTNPC1MALT1POLBGAA
SCHEMBL13664143 0.86 POLB (0.46) MAPTNPC1MALT1POLBGAA
SCHEMBL13664388 0.85 DRD2 (0.40) MAPTNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL13664349 0.85 CNR1 (0.46) KDM4EMAPTNPC1SMN1; SMN2DHODH
SCHEMBL13664403 0.84 L3MBTL1 (0.46) MAPTNPC1MALT1POLBGAA

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 4001/4885MAPT 4701/4885

“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.