SCHEMBL13664180

SCHEMBL13664180

COc1ccc(C(=O)c2nn(-c3ccc(C#N)cc3)c(N)c2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPK14 Q16539 2/20 0.47
MAPKAPK2 P49137 2/20 0.46
VNN1 O95497 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.44
MELK Q14680 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CNR1 P21554 1/20 0.42
CASP1 P29466 1/20 0.42
CNR2 P34972 1/20 0.42
CASP7 P55210 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
F10 P00742 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
SCHEMBL13664178 0.91 KMT2A (0.51) KMT2AMAPK14MAPKAPK2ALDH1A1F2
SCHEMBL13664165 0.91 KMT2A (0.51) KMT2AMAPK14MAPKAPK2ALDH1A1F2
SCHEMBL13664183 0.90 KMT2A (0.50) KMT2AMAPK14MAPKAPK2ALDH1A1F2
SCHEMBL13664163 0.88 MAPT (0.51) KMT2AMAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL13664197 0.87 CA1 (0.48) KMT2AMAPK14ALDH1A1F2CA1
SCHEMBL13664175 0.86 MAPK14 (0.63) KMT2AMAPK14VNN1ALDH1A1MAPT
SCHEMBL13664182 0.86 MAPT (0.51) KMT2AMAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL13664173 0.83 MAPT (0.55) KMT2AMAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL13664233 0.78 MAPT (0.46) KMT2AMAPK14ALDH1A1SMN1; SMN2MAPT
SCHEMBL13664170 0.78 MAPT (0.50) KMT2AMAPK14ALDH1A1SMN1; SMN2MAPT

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 KMT2A 3722/4885MAPK14 1531/4885MAPKAPK2 1460/4885

“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.