SCHEMBL1772180

SCHEMBL1772180

Cc1nc(C#N)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
PDGFRB P09619 3/20 0.50
KDR P35968 3/20 0.50
CHEK1 O14757 1/20 0.50
ABL1 P00519 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
GRK5 P34947 1/20 0.50
MAP2K2 P36507 1/20 0.50
CDK8 P49336 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PRKX P51817 1/20 0.50
NEK2 P51955 1/20 0.50
LIMK1 P53667 1/20 0.50
MAP2K1 Q02750 1/20 0.50
PRKCQ Q04759 1/20 0.50
MAP4K2 Q12851 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL1993804 0.78 KDM4E (0.57) ALDH1A1KDM4EPDGFRBKDRCHEK1
SCHEMBL2024861 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EPDGFRBKDRCHEK1
SCHEMBL27698896 0.77 DCPS (0.57) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL1772179 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EPDGFRBKDRCHEK1
SCHEMBL17753300 0.77 KDM4E (0.52) ALDH1A1KDM4EPDGFRBKDRLMNA
SCHEMBL21085739 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EPDGFRBKDRCHEK1
SCHEMBL20035084 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL28204354 0.76 CYP1A2 (0.59) ALDH1A1KDM4ECLK4LMNAHTT
SCHEMBL28204358 0.76 CYP1A2 (0.57) ALDH1A1KDM4ECLK4LMNAKMT2A
SCHEMBL15253872 0.76 MEN1 (0.54) ALDH1A1KDM4ECLK4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
EP-3305792-B1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2024-04-10 EP disclosed
EP-3922628-A1 CYTOTOXIC COMPOUNDS INHIBITING TUBULIN POLYMERISATION Université Paris-Saclay (FR) 2021-12-15 EP disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
EP-3129368-B1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN CENTRE NAT RECH SCIENT (FR) 2021-09-22 EP disclosed
US-10653694-B2 Cytotoxic compounds which are inhibitors of the polymerisation of tubulin CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-05-19 US disclosed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
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 disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO disclosed
US-7495003-B2 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) 2009-02-24 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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-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

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

For each of this compound's patents that has machine-readable text (5 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-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 ALDH1A1 246/4885KDM4E 895/4885PDGFRB 2398/4885
US-10653694-B2 Cytotoxic compounds which are inhibitors of the polymerisation of tubulin TUBB1, TUBB, TUBB3 ALDH1A1 2717/4885KDM4E 3935/4885PDGFRB 3090/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 ALDH1A1 276/4885KDM4E 1036/4885PDGFRB 2238/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 ALDH1A1 287/4885KDM4E 1140/4885PDGFRB 2706/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 ALDH1A1 407/4885KDM4E 566/4885PDGFRB 3236/4885

“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.