SCHEMBL13664197

SCHEMBL13664197

COc1ccc(-n2nc(C(=O)c3ccc(C(F)(F)F)cc3)c(C#N)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 2/20 0.47
F10 P00742 3/20 0.45
ABCG2 Q9UNQ0 4/20 0.45
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
F2 P00734 2/20 0.41
SCN9A Q15858 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAOB P27338 1/20 0.41
NPBWR1 P48145 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL13664193 0.89 MAPT (0.47) CA1CA2CA4CA9KMT2A
SCHEMBL13664190 0.89 MAPT (0.47) CA1CA2CA4CA9KMT2A
SCHEMBL13664191 0.88 MAPK14 (0.48) CA1CA2CA4CA9KMT2A
SCHEMBL13664171 0.87 MAPT (0.47) CA1CA2CA4CA9KMT2A
SCHEMBL13664205 0.87 CA1 (0.44) CA1CA2CA4CA9KMT2A
SCHEMBL13664165 0.87 KMT2A (0.51) CA1CA2CA4CA9KMT2A
SCHEMBL13664180 0.87 KMT2A (0.51) CA1CA2CA4CA9KMT2A
SCHEMBL13664178 0.87 KMT2A (0.51) CA1CA2CA4CA9KMT2A
SCHEMBL13664183 0.86 KMT2A (0.50) KMT2AMAPK14ALDH1A1F2
SCHEMBL13664204 0.82 MAPT (0.43) KMT2AABCG2ALDH1A1

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 CA1 4747/4885CA2 4466/4885CA4 4617/4885

“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.