SCHEMBL3970140

SCHEMBL3970140

[CH2]c1cccc(-c2ccccn2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
TP53 P04637 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
ALOX15 P16050 4/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
CCR1 P32246 3/20 0.71
CCR5 P51681 3/20 0.71
CCR8 P51685 3/20 0.71
LMNA P02545 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
HTT P42858 2/20 0.71
ALPL P05186 2/20 0.71
HSP90AA1 P07900 1/20 0.71
ALPI P09923 1/20 0.71
ALPG P10696 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP1A2 P05177 2/20 0.61
POLB P06746 1/20 0.61
METAP1 P53582 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL30172832 0.84 KDM4E (1.00) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
SCHEMBL7964803 0.84 KDM4E (1.00) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL29357603 0.84 KDM4E (1.00) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL57442 0.84 KDM4E (1.00) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL1616654 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL2953496 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL3150051 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL7112915 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL5899140 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1
Terpyridine SCHEMBL8536195 0.81 KDM4E (0.95) KDM4ETP53SMN1; SMN2ALOX15L3MBTL1

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 20 patents. 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-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 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-8865914-B2 Fluorescent probes for detection of copper THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 US disclosed
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 disclosed
US-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-20 US disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 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
CN-1238338-C Process for the preparation of 4(5)-amino-5(4)carboxamidoimidoimidazoles and intermediates thereof NIPPON SODA CO (JP) 2006-01-25 CN 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
US-6797828-B1 Processes for the preparation of 4(5)-amino-5(4)-carboxamidoimidazoles and intermediates thereof NIPPON SODA CO. LTD. (JP) 2004-09-28 US disclosed
CN-1502604-A Process for the preparation of 4(5)-amino-5(4)carboxamidoimidoimidazoles and intermediates thereof �ձ�������ʽ���� 2004-06-09 CN disclosed
CN-1150169-C Process for the preparation of 4(5) -amino-5 (4) -carbamoylimidazoles and intermediates thereof �ձ�������ʽ���� 2004-05-19 CN disclosed
CN-1374951-A Process for the preparation of 4(5) -amino-5 (4) -carbamoylimidazoles and intermediates thereof NIPPON SODA CO (JP) 2002-10-16 CN disclosed
EP-1215206-A1 PROCESSES FOR THE PREPARATION OF 4(5)-AMINO-5(4)-CARBOXAMIDOIMIDAZOLES AND INTERMEDIATES THEREOF NIPPON SODA CO., LTD. (JP) 2002-06-19 EP disclosed
EP-0499501-B1 New macrocyclic nitrogen ligands, method for their preparation, metal complexes, diagnostic and therapeutic compositions GUERBET SA (FR) 1998-08-19 EP 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 (3 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-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER NCS1, CHERP, RYR1 KDM4E 4092/4885TP53 1630/4885SMN1; SMN2 3450/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 KDM4E 1036/4885TP53 4866/4885SMN1; SMN2 2069/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 KDM4E 1140/4885TP53 4859/4885SMN1; SMN2 1725/4885

“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.