SCHEMBL8006965

SCHEMBL8006965

Cc1cc(Cl)cc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.37
PARP1 P09874 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP2A6 P11509 1/20 0.33
IDH1 O75874 1/20 0.32
MAP3K14 Q99558 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL13534195 0.89 NOTUM (0.38) HTR3AMAP3K14
SCHEMBL5542434 0.80 CYP3A4 (0.41) PARP1PTGS1PTGS2
SCHEMBL29797722 0.79 HTR3A (0.39) HTR3APARP1
SCHEMBL8011587 0.79 PARP1 (0.37) PARP1PTGS1PTGS2CYP2A6NR3C1
SCHEMBL7484709 0.76 PARP1 (0.39) PARP1PTGS1PTGS2CYP2A6
SCHEMBL4107808 0.76 PARP1 (0.39) HTR3APARP1
SCHEMBL8466298 0.76 PARP1 (0.39) PARP1PTGS1PTGS2CYP2A6
SCHEMBL5542428 0.76 PARP1 (0.39) PARP1PTGS1PTGS2CYP2A6
SCHEMBL31394015 0.76 MAPT (0.36) PARP1PTGS1PTGS2CYP2A6NR3C1
SCHEMBL14189080 0.76 PARP1 (0.54) PARP1PTGS1PTGS2CYP2A6NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
WO-2021250399-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2021-12-16 WO disclosed
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US disclosed
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US disclosed
US-7781440-B2 Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-7781440-B2 Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2090579-A1 Substituted heteroarylamide diazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-19 EP disclosed
WO-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-7388005-B2 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 US disclosed
US-7388005-B2 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 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 (3 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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP HTR3A 635/4885PARP1 621/4885PTGS1 3874/4885
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES WEE1, CBR1, WEE2 HTR3A 495/4885PARP1 1133/4885PTGS1 1907/4885
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives CDK5, PSEN2, PSEN1 HTR3A 1404/4885PARP1 351/4885PTGS1 1641/4885

“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.