SCHEMBL805510

SCHEMBL805510

CCc1nc(C)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
RAD52 P43351 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
GPR3 P46089 1/20 0.45
TSHR P16473 2/20 0.44
PRNP P04156 1/20 0.44
MAPK10 P53779 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TNKS2 Q9H2K2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL7067981 0.85 KDM4E (0.56) POLBRAD52SMN1; SMN2LMNAHTT
SCHEMBL14417174 0.82 LMNA (0.47) POLBRAD52SMN1; SMN2LMNAHTT
SCHEMBL10171939 0.80 POLB (0.54) POLBRAD52SMN1; SMN2LMNAHTT
SCHEMBL12533981 0.79 KMT2A (0.64) POLBRAD52SMN1; SMN2LMNAKDM4E
SCHEMBL28260793 0.78 POLB (0.53) POLBRAD52SMN1; SMN2LMNAKDM4E
SCHEMBL1773497 0.78 POLB (0.53) POLBRAD52SMN1; SMN2LMNAKDM4E
SCHEMBL4572143 0.78 NUDT1 (0.58) POLBRAD52SMN1; SMN2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28418689 0.78 POLB (0.53) POLBRAD52SMN1; SMN2LMNAHTT
SCHEMBL10316110 0.77 ACP1 (0.58) POLBRAD52SMN1; SMN2KMT2AMEN1
SCHEMBL3107641 0.77 MAPT (0.56) POLBSMN1; SMN2LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP claimed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-10882854-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-01-05 US disclosed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 US disclosed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO disclosed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (8 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 POLB 2194/4885RAD52 4878/4885SMN1; SMN2 2069/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN POLB 3453/4885RAD52 3611/4885SMN1; SMN2 3581/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 POLB 4194/4885RAD52 3526/4885SMN1; SMN2 3716/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 POLB 2648/4885RAD52 4883/4885SMN1; SMN2 1725/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 POLB 349/4885RAD52 749/4885SMN1; SMN2 2782/4885
US-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, CX3CR1 POLB 1881/4885RAD52 2939/4885SMN1; SMN2 1854/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 POLB 524/4885RAD52 1058/4885SMN1; SMN2 2142/4885
US-10882854-B2 Heterocyclic compounds and use thereof CXCL12, HPGDS, CX3CR1 POLB 1881/4885RAD52 2939/4885SMN1; SMN2 1854/4885

“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.