SCHEMBL13664164

SCHEMBL13664164

COc1ccccc1-n1nc(C(=O)c2ccc(C)cc2)c(C#N)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL13667927 0.86 MAPK14 (0.53) MAPK14MAPTALDH1A1LMNATP53
SCHEMBL13664169 0.86 ALDH1A1 (0.46) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL13664172 0.83 MAPT (0.64) MAPTALDH1A1LMNAHPGDTP53
SCHEMBL13664173 0.81 MAPT (0.55) MAPK14MAPTALDH1A1LMNAHPGD
SCHEMBL13664165 0.80 KMT2A (0.51) MAPK14MAPTALDH1A1LMNAHPGD
SCHEMBL13664178 0.80 KMT2A (0.51) MAPK14MAPTALDH1A1LMNAHPGD
SCHEMBL13664192 0.79 ALDH1A1 (0.56) MAPTALDH1A1LMNAHPGDTP53
SCHEMBL13664162 0.79 MEN1 (0.51) MAPK14MAPTALDH1A1LMNAHPGD
SCHEMBL13664195 0.77 KDM4E (0.50) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL13664163 0.77 MAPT (0.51) MAPK14MAPTALDH1A1LMNAHPGD

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 MAPK14 1531/4885MAPT 4701/4885ALDH1A1 3415/4885

“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.