SCHEMBL195914

SCHEMBL195914

[CH2]c1ccc2ncccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 2/20 0.41
CASP1 P29466 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TGFBR1 P36897 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL8194 0.77 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL30099834 0.77 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL29663058 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPTKDM4ENPC1
Formaldehyde SCHEMBL27344975 0.75 ALDH1A1 (0.57) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL276403 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL3704751 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL28519048 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL3710107 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL29592061 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTKDM4ENPC1
Hydrogen Sulfide SCHEMBL29184282 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTKDM4ENPC1

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 365 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
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 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
CN-101460173-A Use of DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2009-06-17 CN claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
WO-2009022008-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
WO-2009022010-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR 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
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
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 (6 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 648/4885CYP3A4 175/4885MAPT 4367/4885
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY DPP4, DPP3, DPP7 ALDH1A1 412/4885CYP3A4 78/4885MAPT 2786/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 608/4885CYP3A4 179/4885MAPT 4278/4885
US-20200222411-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 648/4885CYP3A4 175/4885MAPT 4367/4885
US-20190202833-A1 USE OF A DPP-4 INHIBITOR IN SIRS AND/OR SEPSIS DPP4, DPP3, DPP7 ALDH1A1 2418/4885CYP3A4 147/4885MAPT 3614/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 ALDH1A1 249/4885CYP3A4 88/4885MAPT 340/4885

“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.