SCHEMBL166769

SCHEMBL166769

COc1ccc(Cn2ncc3c(N)cc(F)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.48
PDE1B Q01064 4/20 0.48
PDE1C Q14123 4/20 0.48
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
NPBWR1 P48145 7/20 0.44
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.40
POLB P06746 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
SCHEMBL3289718 0.81 CNR1 (0.50) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL22912921 0.79 PDE1B (0.49) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL17205820 0.76 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTSLC2A1
SCHEMBL15081241 0.75 SCN9A (0.36) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL25380409 0.74 CNR1 (0.46) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL21608367 0.74 NPBWR1 (0.47) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL16014472 0.74 PDE1A (0.50) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL22913774 0.74 PDE1A (0.50) PDE1APDE1BPDE1CPKMPKLR
SCHEMBL1801455 0.74 NPBWR1 (0.54) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL22913090 0.73 NPBWR1 (0.51) PDE1APDE1BPDE1CPKMPKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD PDE1A 2147/4885PDE1B 2043/4885PDE1C 2519/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PDE1A 2147/4885PDE1B 2043/4885PDE1C 2519/4885

“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.