SCHEMBL130023

SCHEMBL130023

Cc1cnc2cccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 3/20 0.53
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ATAD2 Q6PL18 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
PRMT5 O14744 1/20 0.39
NQO2 P16083 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
SCHEMBL14315734 0.81 CYP1A2 (0.54) CYP1A2ALDH1A1CCR1CCR5CCR8
SCHEMBL12731938 0.78 MAPT (0.61) CYP1A2ALDH1A1CCR1CCR5CCR8
SCHEMBL31061468 0.76 BCHE (0.57) ALDH1A1BCHEACHE
SCHEMBL274826 0.76 ALDH1A1 (0.44) CYP1A2ALDH1A1ATAD2KDM4EMAPT
SCHEMBL8194 0.75 ALDH1A1 (0.67) CYP1A2ALDH1A1CCR1CCR5CCR8
SCHEMBL30099834 0.75 ALDH1A1 (0.67) CYP1A2ALDH1A1CCR1CCR5CCR8
SCHEMBL9902856 0.75 GRM5 (0.47) CYP1A2ALDH1A1BCHEACHEATAD2
SCHEMBL19445102 0.74 ALDH1A1 (0.43) CYP1A2ALDH1A1ATAD2KDM4EMAPT
SCHEMBL12066725 0.74 ALDH1A1 (0.43) CYP1A2ALDH1A1ATAD2KDM4EMAPT
SCHEMBL4141544 0.74 BCHE (0.44) CYP1A2ALDH1A1BCHEACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US 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
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-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
WO-2023205366-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS CARTHRONIX, INC. (US) 2023-10-26 WO disclosed
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US disclosed
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 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
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
CN-1416430-A 4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamides as antiviral agents PHARMACIA & UPJOHM CO (US) 2003-05-07 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 (11 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 CYP1A2 328/4885ALDH1A1 1010/4885CCR1 2564/4885
US-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE GPX1, LAGE3, NFE2L2 CYP1A2 268/4885ALDH1A1 17/4885CCR1 3530/4885
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP7 CYP1A2 323/4885ALDH1A1 246/4885CCR1 1515/4885
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 165/4885ALDH1A1 618/4885CCR1 2402/4885
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT6, PRMT1 CYP1A2 2128/4885ALDH1A1 2200/4885CCR1 2394/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 CYP1A2 592/4885ALDH1A1 276/4885CCR1 807/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 CYP1A2 616/4885ALDH1A1 287/4885CCR1 911/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP1A2 2024/4885ALDH1A1 3748/4885CCR1 1697/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 CYP1A2 4770/4885ALDH1A1 3607/4885CCR1 4442/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 CYP1A2 4692/4885ALDH1A1 3774/4885CCR1 4639/4885
US-11825740-B2 Amine compound and organic light-emitting device including the same AOC2, AOC1, AOC3 CYP1A2 126/4885ALDH1A1 19/4885CCR1 2856/4885

“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.