SCHEMBL637564

SCHEMBL637564

CN(C)c1n[c]nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 11/20 0.45
CYP1A2 P05177 10/20 0.45
CYP3A4 P08684 8/20 0.45
ALDH1A1 P00352 8/20 0.45
TSHR P16473 7/20 0.45
CYP2C19 P33261 6/20 0.45
CYP2C9 P11712 5/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
GLA P06280 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HIF1A Q16665 2/20 0.45
RECQL P46063 1/20 0.45
CLK4 Q9HAZ1 6/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 5/20 0.41
MEN1 O00255 4/20 0.41

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
SCHEMBL637547 0.72 ALDH1A1 (0.45) CYP1A2ALDH1A1TSHRKDM4ELMNA
SCHEMBL1084629 0.71 EGFR (0.59) SMN1; SMN2HTTCYP2D6CYP1A2CYP3A4
SCHEMBL2184445 0.69 EGFR (0.68) SMN1; SMN2HTTCYP2D6CYP1A2CYP3A4
SCHEMBL7972478 0.68 PDE4A (0.48) SMN1; SMN2CYP1A2ALDH1A1CYP2C19KDM4E
SCHEMBL623055 0.68 DCPS (0.48) SMN1; SMN2HTTCYP1A2CYP3A4ALDH1A1
SCHEMBL7039137 0.68 GPR3 (0.39) SMN1; SMN2HTTCYP1A2ALDH1A1TSHR
SCHEMBL558169 0.68 CYP1A2 (0.39) SMN1; SMN2HTTCYP1A2ALDH1A1TSHR
SCHEMBL2303106 0.68 ATM (0.36) SMN1; SMN2CYP1A2ALDH1A1KDM4EGLA
SCHEMBL7976154 0.68 ALDH1A1 (0.48) SMN1; SMN2HTTCYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL14775621 0.68 EGFR (0.66) SMN1; SMN2HTTCYP2D6CYP1A2CYP3A4

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 53 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-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
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-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
EP-1689748-B1 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 INT (DE) 2008-02-13 EP claimed
JP-2007512280-A 2007-05-17 JP claimed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US claimed
EP-1689748-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) 2006-08-16 EP claimed
JP-2006503013-A 2006-01-26 JP claimed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US claimed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US 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-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
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
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 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 (5 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 SMN1; SMN2 2325/4885HTT 3663/4885CYP2D6 163/4885
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 SMN1; SMN2 2935/4885HTT 3742/4885CYP2D6 96/4885
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 SMN1; SMN2 2322/4885HTT 4045/4885CYP2D6 94/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 SMN1; SMN2 1963/4885HTT 3460/4885CYP2D6 168/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 SMN1; SMN2 2910/4885HTT 4106/4885CYP2D6 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.