SCHEMBL4208809

SCHEMBL4208809

CCN(CC)C(=O)Cc1c(N)n[nH]c1-c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MAPK10 P53779 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TSPO P30536 5/20 0.47
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9739282 0.79 HTT (0.57) HTTMAPK10SMN1; SMN2MAPTNPC1
SCHEMBL27390233 0.79 HTT (0.53) HTTMAPK10SMN1; SMN2MAPTNPC1
SCHEMBL9714958 0.71 SMN1; SMN2 (0.46) HTTMAPK10SMN1; SMN2MAPTNPC1
SCHEMBL27390328 0.70 ROCK2 (0.42) HTTMAPK10SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4002523 0.70 ALDH1A1 (0.56) HTTSMN1; SMN2TSPOALDH1A1LMNA
SCHEMBL8034982 0.70 HTT (0.56) HTTMAPK10SMN1; SMN2MAPTNPC1
SCHEMBL9714927 0.70 RAB9A (0.44) HTTMAPK10SMN1; SMN2RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL9715094 0.69 LMNA (0.53) HTTMAPK10SMN1; SMN2RAB9AL3MBTL1
SCHEMBL9714985 0.69 ABL1 (0.43) HTTMAPK10SMN1; SMN2MAPTALDH1A1
SCHEMBL9714945 0.67 HSD17B10 (0.46) HTTMAPK10SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458161-B1 TSPO ligands for cancer imaging and treatment VANDERBLIT UNIVERSITY (US) 2016-10-04 US disclosed
EP-2035421-B1 2-Arylpyrazolo[l,5-alpha]pyrimidin-3-yl acetamide derivatives as ligands for translocator protein (18 kDa) UNIV SYDNEY (AU) 2014-07-02 EP disclosed
US-20120189548-A1 2-ARYLPYRAZOLO[L,5-ALPHA]PYRIMIDIN-3-YL ACETAMIDE DERIVATIVES AS LIGANDS FOR TRANSLOCATOR PROTEIN (18 KDA) THE UNIVERSITY OF SYDNEY (AU) 2012-07-26 US disclosed
US-20120189548-A1 2-ARYLPYRAZOLO[L,5-ALPHA]PYRIMIDIN-3-YL ACETAMIDE DERIVATIVES AS LIGANDS FOR TRANSLOCATOR PROTEIN (18 KDA) THE UNIVERSITY OF SYDNEY (AU) 2012-07-26 US disclosed
US-20090311176-A1 2-Arylpyrazolo[L,5-Alpha] Pyrimidin-3-YL Acetamide Derivatives as Ligands for Translocator Protein (18 Kda) THE UNIVERSITY OF SYDNEY (AU) 2009-12-17 US disclosed
US-20090311176-A1 2-Arylpyrazolo[L,5-Alpha] Pyrimidin-3-YL Acetamide Derivatives as Ligands for Translocator Protein (18 Kda) THE UNIVERSITY OF SYDNEY (AU) 2009-12-17 US disclosed
US-20090311176-A1 2-Arylpyrazolo[L,5-Alpha] Pyrimidin-3-YL Acetamide Derivatives as Ligands for Translocator Protein (18 Kda) THE UNIVERSITY OF SYDNEY (AU) 2009-12-17 US disclosed
WO-2007134362-A1 2-ARYLPYRAZOLO[L,5-α]PYRIMIDIN-3-YL ACETAMIDE DERIVATIVES AS LIGANDS FOR TRANSLOCATOR PROTEIN (18 KDA) THE UNIVERSITY OF SYDNEY (AU) 2007-11-29 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 (2 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-20090311176-A1 2-Arylpyrazolo[L,5-Alpha] Pyrimidin-3-YL Acetamide Derivatives as Ligands for Translocator Protein (18 Kda) TSPO, SLC18A2, TMEM14C HTT 584/4885MAPK10 2619/4885SMN1; SMN2 1827/4885
US-20120189548-A1 2-ARYLPYRAZOLO[L,5-ALPHA]PYRIMIDIN-3-YL ACETAMIDE DERIVATIVES AS LIGANDS FOR TRANSLOCATOR PROTEIN (18 KDA) TSPO, TMEM14C, SLC18A2 HTT 615/4885MAPK10 2601/4885SMN1; SMN2 1913/4885

“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.