SCHEMBL637547

SCHEMBL637547

Cc1n[c]nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
NUDT1 P36639 1/20 0.45
GPR3 P46089 2/20 0.45
MPO P05164 1/20 0.38
RAD52 P43351 1/20 0.38
PDE10A Q9Y233 1/20 0.36
BACE1 P56817 1/20 0.35
NCF1 P14598 1/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.34
CYP2A6 P11509 1/20 0.34
ELANE P08246 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL444551 0.73 GPR3 (0.39) ALDH1A1CYP1A2HSD17B10HPGDGPR3
SCHEMBL623055 0.73 DCPS (0.48) ALDH1A1CYP1A2HSD17B10HPGDNUDT1
SCHEMBL558169 0.73 CYP1A2 (0.39) ALDH1A1CYP1A2HSD17B10HPGDGPR3
SCHEMBL7039137 0.73 GPR3 (0.39) ALDH1A1CYP1A2HSD17B10HPGDGPR3
SCHEMBL7972478 0.73 PDE4A (0.48) ALDH1A1CYP1A2HSD17B10HPGDGPR3
SCHEMBL7976154 0.72 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDMPOKDM4E
SCHEMBL638754 0.72 GPR3 (0.34) ALDH1A1CYP1A2GPR3MPOPOLB
SCHEMBL2303106 0.72 ATM (0.36) ALDH1A1CYP1A2HSD17B10HPGDGPR3
SCHEMBL637564 0.72 SMN1; SMN2 (0.47) ALDH1A1CYP1A2HSD17B10HPGDNUDT1
SCHEMBL23295733 0.71 ELANE (0.39) CYP1A2CYP2A6ELANEPARP1

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 127 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-1720835-B1 NOVEL GUANIDINYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AS EFFECTIVE PHOSPHODIESTERASE (PDE) 4 INHIBITORS NYCOMED GMBH (DE) 2012-12-12 EP claimed
JP-4728259-B2 2011-07-20 JP 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
EP-1709049-B1 BICYCLIC IMIDAZOLE COMPOUNDS, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-08-18 EP claimed
US-7550455-B2 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US claimed
EP-2070539-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-17 EP 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
WO-2005051950-A1 NOVEL 8-(PIPERAZINE-1-YL)- AND 8-([1,4]DIAZEPAN-1-YL)-XANTHINE, THE PRODUCTION AND USE THEREOF IN THE FROM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 WO claimed
EP-1537086-A2 NOVEL PHENANTHRIDINES ALTANA Pharma AG (DE) 2005-06-08 EP 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-2004018431-A2 NOVEL PHENANTHRIDINES ALTANA PHARMA AG (DE) 2004-03-04 WO 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
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
EP-0337308-B1 2-Pyridylmethylthio derivatives and antiulcer agents NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP claimed
US-4925843-A SUBSTITUTED ON QUINAZOLINE, PHTHALAZINE OR PYRIDO(2,3-D)PYRIMIDINE MOIETIES NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-05-15 US claimed
EP-0337308-A2 2-Pyridylmethylthio derivatives and antiulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 ALDH1A1 295/4885CYP1A2 313/4885HSD17B10 2750/4885

“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.