SCHEMBL4506508

SCHEMBL4506508

O=c1oc2cc(N3CCN(CCO)CC3)ccc2cc1-c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
PIK3CB P42338 1/20 0.59
ALK Q9UM73 2/20 0.54
POLB P06746 1/20 0.43
DRD2 P14416 7/20 0.42
HTR1A P08908 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 1/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
HTR2A P28223 6/20 0.42

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
SCHEMBL4498587 0.95 PIK3CD (0.57) PIK3CDPIK3CBALKPOLBDRD2
SCHEMBL4503114 0.91 PIK3CD (0.57) PIK3CDPIK3CBALKPOLBDRD2
SCHEMBL5250208 0.89 PIK3CD (0.55) PIK3CDPIK3CBALKPOLBDRD2
SCHEMBL4505982 0.88 PIK3CD (0.62) PIK3CDPIK3CBALKPOLBKDM4E
SCHEMBL16674768 0.85 PIK3CD (0.64) PIK3CDPIK3CBALKKDM4ELMNA
SCHEMBL4505188 0.84 PIK3CD (0.63) PIK3CDPIK3CBALKKDM4ELMNA
SCHEMBL15068911 0.84 PIK3CD (0.58) PIK3CDPIK3CBALKKDM4ELMNA
Hydrochloric Acid SCHEMBL15069133 0.84 PIK3CD (0.62) PIK3CDPIK3CBALKKDM4ELMNA
SCHEMBL16782281 0.83 PIK3CD (0.49) PIK3CDPIK3CBPOLBDRD2HTR1A
SCHEMBL15069039 0.83 PIK3CD (0.59) PIK3CDPIK3CBALKPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 PIK3CD 4159/4885PIK3CB 2934/4885ALK 4394/4885
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 PIK3CD 3763/4885PIK3CB 3181/4885ALK 4482/4885

“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.