SCHEMBL13664165

SCHEMBL13664165

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
KCNK3 O14649 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK14 Q16539 1/20 0.46
F2 P00734 1/20 0.44
MELK Q14680 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 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 1.00 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664173 0.93 MAPT (0.55) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664180 0.91 KMT2A (0.51) KMT2AALDH1A1MAPTSMN1; SMN2MAPK14
SCHEMBL13664183 0.90 KMT2A (0.50) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664163 0.88 MAPT (0.51) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664203 0.87 MAPT (0.50) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664162 0.87 MEN1 (0.51) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664161 0.87 MAPT (0.51) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664170 0.87 MAPT (0.50) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL13664172 0.87 MAPT (0.64) ALDH1A1MAPTLMNAHPGDSMN1; SMN2

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 1 patent. 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

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 3722/4885ALDH1A1 3415/4885MAPT 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.