SCHEMBL8028552

SCHEMBL8028552

CC(C)NC(=O)c1ccc2n1CCN(C)C2C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HRH3 Q9Y5N1 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNK3 O14649 1/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.32
MLYCD O95822 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8028545 0.84 KDM4E (0.37) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL8034375 0.80 KDM4E (0.47) KDM4EALDH1A1MEN1GAAKMT2A
SCHEMBL930275 0.80 NR1H2 (0.42) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL929547 0.78 MAPT (0.35) MAPTHRH3ALDH1A1SMN1; SMN2KCNK3
SCHEMBL12905210 0.72 NR1H2 (0.41) MAPTHRH3KDM4ESMN1; SMN2KCNK3
SCHEMBL3819952 0.70 MAPT (0.34) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL3820003 0.70 ALDH1A1 (0.34) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL12905189 0.66 KDM4E (0.33) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL928282 0.66 CHRM3 (0.38) MAPTKCNK3TP53MLYCD
SCHEMBL930651 0.64 NR1H2 (0.42) MAPTKDM4EALDH1A1MEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 MAPT 2144/4885HRH3 748/4885KDM4E 1667/4885

“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.