SCHEMBL8028545

SCHEMBL8028545

CNC(=O)c1ccc2n1CCN(C)C2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDC42 P60953 3/20 0.33
RAC1 P63000 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
NPC1 O15118 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRM1 P35372 1/20 0.33
RAB9A P51151 1/20 0.33
PAK1 Q13153 1/20 0.33
CLK1 P49759 1/20 0.32
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8034375 0.84 KDM4E (0.47) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL8028549 0.70 NR1H2 (0.41) MEN1ALDH1A1MAPTKMT2ACHRM3
Fumaric Acid SCHEMBL9430897 0.66 KDM4E (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8030270 0.66 DRD3 (0.35) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL930651 0.65 NR1H2 (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8022254 0.61 CHRM2 (0.36) CHRM3
SCHEMBL8032097 0.61 CHRNB1 (0.31)
SCHEMBL8011437 0.61 CHRM2 (0.35) MEN1ALDH1A1KMT2ACHRM3
SCHEMBL8025804 0.61 CHRM2 (0.35) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8028631 0.60 TACR3 (0.38) KDM4EALDH1A1SMN1; SMN2NPC1CHRM3

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 KDM4E 1667/4885MEN1 4030/4885ALDH1A1 2888/4885

“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.