SCHEMBL196600

SCHEMBL196600

[CH2]c1nc(C)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP1A2 P05177 3/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NUDT1 P36639 1/20 0.59
MPO P05164 1/20 0.49
RAD52 P43351 1/20 0.49
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.42
NCF1 P14598 1/20 0.42

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
SCHEMBL196601 0.77 GPR3 (0.64) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL1772608 0.76 L3MBTL1 (0.53) GPR3ALDH1A1CYP1A2HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL2184448 0.76 GPR3 (0.61) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL12501245 0.75 LMNA (0.51) ALDH1A1HPGDRAD52MAPTSMN1; SMN2
SCHEMBL85621 0.75 GPR3 (1.00) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL377227 0.74 HSD17B10 (1.00) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9388561 0.74 GPR3 (0.59) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL11581679 0.74 GPR3 (0.59) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL18574483 0.74 GPR3 (0.59) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL3946621 0.74 DCPS (0.63) ALDH1A1CYP1A2HPGDHSD17B10NUDT1

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 480 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-3539956-A1 METHOD FOR PRODUCING CHIRAL 8- (3-AMINO-PIPERIDIN-1-YL) -XANTHINES Boehringer Ingelheim International GmbH (DE) 2019-09-18 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
WO-2007128761-A2 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO claimed
CN-101048409-A Process for the preparation of chiral 8- (3-amino-piperidin-1-yl) -xanthines BOEHRINGER INGELHEIM INT (DE) 2007-10-03 CN claimed
EP-1812438-A1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES Boehringer Ingelheim International GmbH (DE) 2007-08-01 EP claimed
US-20060142310-A1 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US claimed
WO-2006048427-A1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO claimed
JP-2006503013-A 2006-01-26 JP 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
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

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

For each of this compound's patents that has machine-readable text (7 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 GPR3 2485/4885ALDH1A1 648/4885CYP1A2 1187/4885
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY DPP4, DPP3, DPP7 GPR3 2874/4885ALDH1A1 412/4885CYP1A2 956/4885
US-20060142310-A1 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine DPP4, DPP7, DPP8 GPR3 1359/4885ALDH1A1 229/4885CYP1A2 262/4885
US-20200222411-A1 USES OF DPP IV INHIBITORS DPP4, DPP3, DPP7 GPR3 2485/4885ALDH1A1 648/4885CYP1A2 1187/4885
US-20190202833-A1 USE OF A DPP-4 INHIBITOR IN SIRS AND/OR SEPSIS DPP4, DPP3, DPP7 GPR3 1114/4885ALDH1A1 2418/4885CYP1A2 2383/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 GPR3 752/4885ALDH1A1 295/4885CYP1A2 313/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 GPR3 531/4885ALDH1A1 249/4885CYP1A2 323/4885

“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.