SCHEMBL1771992

SCHEMBL1771992

[CH2]c1cnc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 4/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CASP1 P29466 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR4A2 P43354 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL274826 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL30099834 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL8194 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL9980433 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL19445102 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL130023 0.74 CYP1A2 (0.55) ALDH1A1KDM4EMAPTCYP1A2ATAD2
SCHEMBL12066725 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL2009983 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL4141544 0.74 BCHE (0.44) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL335171 0.74 HTT (0.53) ALDH1A1KDM4EMAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 US claimed
US-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-11-07 US 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
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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US 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
CN-1980930-B 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT 2012-11-21 CN claimed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN claimed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 CN claimed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP 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
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
CN-1980930-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-13 CN 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-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors INCYTE CORPORATION (US) 2022-01-11 US disclosed
US-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
CN-1469878-A Aza-and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors 2004-01-21 CN 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-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP8 ALDH1A1 1010/4885KDM4E 455/4885MAPT 399/4885
US-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 ALDH1A1 1049/4885KDM4E 4183/4885MAPT 2815/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 ALDH1A1 276/4885KDM4E 1036/4885MAPT 295/4885
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 ALDH1A1 1049/4885KDM4E 4183/4885MAPT 2815/4885
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 ALDH1A1 1049/4885KDM4E 4183/4885MAPT 2815/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 ALDH1A1 287/4885KDM4E 1140/4885MAPT 330/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 ALDH1A1 3607/4885KDM4E 3292/4885MAPT 4548/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 ALDH1A1 3774/4885KDM4E 2873/4885MAPT 4630/4885

“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.