SCHEMBL8555923

SCHEMBL8555923

Cc1cc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DHODH Q02127 2/20 0.35
HPGD P15428 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7843954 0.82 ALDH1A1 (0.37) ALDH1A1GAATDP1SMN1; SMN2CA2
SCHEMBL9842102 0.74 ALDH1A1 (0.41) KMT2AALDH1A1GAATDP1SMN1; SMN2
SCHEMBL8555792 0.74 PDE2A (0.48) PDE2AMEN1KMT2AALDH1A1TDP1
SCHEMBL13730760 0.73 ALDH1A1 (0.63) MEN1KMT2ARXFP1ALDH1A1TDP1
SCHEMBL8559130 0.72 POLB (0.43) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL13769278 0.72 PDE2A (0.46) PDE2A
SCHEMBL8558973 0.69 HPGD (0.44) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL22932762 0.69 MEN1 (0.43) PDE2AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7434502 0.69 MEN1 (0.45) MEN1KMT2AALDH1A1GAATDP1
SCHEMBL4102510 0.68 PDE10A (0.43) PDE2AMEN1KMT2AALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591528-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP claimed
US-5688949-A CYCLOOXYGENASE INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-11-18 US claimed
EP-0591528-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-04-13 EP claimed
EP-0591528-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5688949-A CYCLOOXYGENASE INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-11-18 US disclosed
EP-0591528-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-04-13 EP disclosed