SCHEMBL13664152

SCHEMBL13664152

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3cc4ccccc4[nH]3)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD3 P35462 4/20 0.42
DRD2 P14416 2/20 0.42
AKR1C3 P42330 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HTR2C P28335 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL13664418 0.88 HRH4 (0.39) DRD3DRD2HTR2CDRD1DRD4
SCHEMBL13664409 0.87 SLC6A4 (0.46) DRD3DRD2HTR2CDRD1DRD4
SCHEMBL13664318 0.87 POLB (0.42) KDM4EPOLBGAAMAPTTDP1
SCHEMBL13664383 0.87 MAPT (0.44) KDM4EALDH1A1HDAC1HDAC2HDAC3
SCHEMBL13664571 0.87 HDAC3 (0.38) KDM4EALDH1A1HDAC1HDAC2HDAC3
SCHEMBL13664329 0.86 CNR1 (0.46) KDM4EALDH1A1DRD2DRD4POLB
SCHEMBL13664143 0.86 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664373 0.86 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664430 0.86 DRD2 (0.47) DRD3DRD2HTR2CDRD1DRD4
SCHEMBL13664349 0.85 CNR1 (0.46) KDM4EALDH1A1DRD2DRD4POLB

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 3 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
WO-2008008286-A2 SUBSTITUTED PYRAZOLES AS GHRELIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO 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 3380/4885ALDH1A1 3415/4885DRD3 900/4885

“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.