SCHEMBL13664417

SCHEMBL13664417

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4nc(C)[nH]c4c3)c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.38
F9 P00740 2/20 0.37
CNR1 P21554 3/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13664476 0.92 MAPT (0.39) ALDH1A1MAPTKDM4EMEN1THRB
SCHEMBL13664477 0.91 KDM4E (0.38) ALDH1A1MAPTKDM4EMEN1THRB
SCHEMBL13664381 0.89 L3MBTL1 (0.49) MAPTKMT2APOLBL3MBTL1GAA
SCHEMBL13664448 0.88 POLB (0.38) MAPTPOLBL3MBTL1GAATDP1
SCHEMBL13664385 0.88 L3MBTL1 (0.38) MAPTPOLBL3MBTL1GAATDP1
SCHEMBL13664143 0.88 POLB (0.46) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13664373 0.88 POLB (0.46) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13664148 0.88 POLB (0.41) MAPTPOLBL3MBTL1GAATDP1
SCHEMBL13664413 0.87 NPC1 (0.45) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL13664389 0.87 DRD3 (0.42) MAPTPOLBL3MBTL1GAATDP1

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 ALDH1A1 3415/4885MAPT 4701/4885KDM4E 3380/4885

“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.