SCHEMBL3567044

SCHEMBL3567044

CN(C)CCSc1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.59
SERPINE1 P05121 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.43
HTR7 P34969 7/20 0.43
HTR1A P08908 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
SLC2A1 P11166 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL8588324 0.83 SLC6A4 (0.58) SLC6A4SERPINE1HTR7HTR1AMAPK1
SCHEMBL12693414 0.81 SLC6A4 (0.56) SLC6A4SERPINE1HTR7HTR1ARAB9A
SCHEMBL1735242 0.80 SLC2A1 (0.58) SLC6A4MEN1KMT2AGAACYP3A4
SCHEMBL1808815 0.79 CYP3A4 (0.55) MEN1KMT2AGAACYP3A4MAPK1
SCHEMBL8070325 0.79 SLC6A4 (0.54) SLC6A4SERPINE1HTR7HTR1ARAB9A
SCHEMBL14566171 0.79 RAB9A (0.59) SLC6A4SERPINE1HTR7HTR1AGAA
SCHEMBL4058777 0.79 SLC6A4 (0.54) SLC6A4SERPINE1HTR7HTR1AMEN1
SCHEMBL8588327 0.79 SLC6A4 (0.54) SLC6A4SERPINE1HTR7HTR1ARAB9A
SCHEMBL20982662 0.79 SLC6A4 (0.50) SLC6A4SERPINE1HTR7HTR1ACYP3A4
SCHEMBL5174350 0.78 ALDH1A1 (0.61) SLC6A4SERPINE1HTR7HTR1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718821-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2017-08-01 US disclosed
EP-2817308-B1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2016-09-07 EP disclosed
EP-2817308-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES AbbVie Inc. (US) 2014-12-31 EP disclosed
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 US disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
US-4303673-A N-Propionylsarcosineanilides, process for their preparation, and pharmaceutical compositions containing them A. NATTERMANN & CIE. GMBH (DE) 1981-12-01 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-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 SLC6A4 4401/4885SERPINE1 1312/4885PHLPP2 2307/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 SLC6A4 671/4885SERPINE1 1934/4885PHLPP2 3638/4885

“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.