SCHEMBL195644

SCHEMBL195644

[CH2]c1nc2ccccc2cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HBB P68871 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RXFP1 Q9HBX9 3/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL8026750 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL6071693 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL29904585 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL941858 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL16334784 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL1514476 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL195645 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7014505 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7016601 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL27680534 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4151218-A1 LINAGLIPTIN, A XANTHINE DERIVATIVE AS DPP-4 INHIBITOR, FOR USE IN THE TREATMENT OF SIRS AND/OR SEPSIS Boehringer Ingelheim International GmbH (DE) 2023-03-22 EP claimed
EP-4104838-A1 Use of DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP claimed
US-20220184088-A1 USES OF DPP IV INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-06-16 US claimed
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP claimed
CN-112656945-A Treatment of diabetes in patients unsuited for metformin therapy 勃林格殷格翰国际有限公司 2021-04-16 CN claimed
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY BOEHRINGER INGELHEIM INT (DE) 2021-04-01 US claimed
US-20200222411-A1 USES OF DPP IV INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-07-16 US claimed
EP-3626238-A1 DPP-4 INHIBITORS FOR USE FOR THE TREATMENT OF WOUND HEALING IN DIABETIC PATIENTS Boehringer Ingelheim International GmbH (DE) 2020-03-25 EP claimed
US-20190202833-A1 USE OF A DPP-4 INHIBITOR IN SIRS AND/OR SEPSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-04 US claimed
US-20190105321-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY BOEHRINGER INGELHEIM INT (DE) 2019-04-11 US claimed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
EP-2015754-A2 USES OF DPP-IV INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-01-21 EP claimed
EP-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP claimed
WO-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO claimed
US-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 US claimed
WO-2007128761-A2 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO claimed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 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
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO claimed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US 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 (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-20220184088-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 648/4885KDM4E 2319/4885GAA 83/4885
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY DPP4, DPP3, DPP7 ALDH1A1 412/4885KDM4E 895/4885GAA 309/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 608/4885KDM4E 2161/4885GAA 105/4885
US-20200222411-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 648/4885KDM4E 2319/4885GAA 83/4885
US-20190202833-A1 USE OF A DPP-4 INHIBITOR IN SIRS AND/OR SEPSIS DPP4, DPP3, DPP7 ALDH1A1 2418/4885KDM4E 1399/4885GAA 2209/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 ALDH1A1 287/4885KDM4E 1140/4885GAA 211/4885
US-20190105321-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY DPP4, DPP3, DPP7 ALDH1A1 412/4885KDM4E 895/4885GAA 309/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 ALDH1A1 249/4885KDM4E 1025/4885GAA 181/4885

“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.