SCHEMBL433019

SCHEMBL433019

[c]1nc2c(Cc3ccccc3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.37
GAA P10253 2/20 0.37
CALM1 P0DP23 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HRH1 P35367 1/20 0.35
MPO P05164 3/20 0.35
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
DAO P14920 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8558658 0.73 CCNB2 (0.37) MEN1KMT2AGAACALM1KDM4E
SCHEMBL30933259 0.71 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18393343 0.71 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8474445 0.71
SCHEMBL4623912 0.71 METAP2 (0.35) CYP3A4CYP1A2CYP2D6CYP2C9MEN1
SCHEMBL8562960 0.70 TUBB4A (0.37) KMT2AGAAKDM4EALDH1A1HTT
SCHEMBL9740801 0.69 MEN1 (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9307952 0.69 NPC1 (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5071826 0.69 PNP (0.52) CYP3A4MEN1KMT2AGAAMPO
SCHEMBL9306184 0.69 GAA (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP claimed
EP-2477979-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS Nitto Denko Corporation (JP) 2012-07-25 EP claimed
WO-2012012295-A1 PHOTOTHERAPY DEVICES AND METHODS COMPRISING SUBSTITUTED CARBAZOLE COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-26 WO claimed
EP-2308878-A2 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-04-13 EP claimed
WO-2011034967-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS NITTO DENKO CORPORATION (JP) 2011-03-24 WO claimed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 EP claimed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 EP claimed
JP-4233524-B2 2009-03-04 JP claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
JP-2006503013-A 2006-01-26 JP claimed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO claimed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP claimed
EP-2992112-B1 MUTATIONS IN PDGFRB AND NOTCH3 AS CAUSES OF AUTOSOMAL DOMINANT INFANTILE MYOFIBROMATOSIS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-06-03 EP disclosed
EP-3600440-A1 REDUCED EXPOSURE CONJUGATES MODULATING THERAPEUTIC TARGETS Sienna Biopharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
WO-2020023389-A1 REDUCED EXPOSURE COMPOSITIONS MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2020-01-30 WO disclosed
EP-1313694-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed
WO-2002090333-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO disclosed
WO-2002018319-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2002-03-07 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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP3A4 82/4885CYP1A2 364/4885CYP2D6 168/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CYP3A4 74/4885CYP1A2 313/4885CYP2D6 110/4885

“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.