SCHEMBL5804138

SCHEMBL5804138

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1c[nH]c2ccccc12.O=C(Cl)C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
NPC1 O15118 3/20 0.59
GFER P55789 1/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41

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
SCHEMBL4823716 0.96 MEN1 (0.63) MEN1KMT2ANPC1GFERMAPT
SCHEMBL92372 0.77 MEN1 (0.76) MEN1KMT2ANPC1GFERMAPT
SCHEMBL3528649 0.77 MEN1 (0.46) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL7237292 0.76 MEN1 (0.74) MEN1KMT2ANPC1GFERMAPT
SCHEMBL2324045 0.76 KMT2A (0.50) MEN1KMT2ANPC1GFERMAPT
SCHEMBL2073317 0.73 HIF1A (0.46) NPC1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL1743265 0.73 HSD17B1 (0.47) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL16907820 0.73 HTT (0.52) HPGDALDH1A1
SCHEMBL14626743 0.73 KMT2A (0.68) MEN1KMT2ANPC1GFERMAPT
SCHEMBL21198240 0.71 HIF1A (0.42) MAPTKDM4ELMNAALDH1A1

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed