SCHEMBL92745

SCHEMBL92745

ClCc1nc(Cl)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
METAP1 P53582 1/20 0.46
MEN1 O00255 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL16404343 0.86 MAOA (0.50) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL859288 0.82 ALDH1A1 (0.54) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL2261435 0.82 MAOA (0.52) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL9173175 0.79 ALDH1A1 (0.55) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL28539392 0.78 KMT2A (0.48) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL16589007 0.78 DCPS (0.57) KMT2AMAOAMAPTMEN1TDP1
SCHEMBL637147 0.78 GPR3 (0.53) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL29693664 0.78 GPR3 (0.53) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL13057125 0.78 L3MBTL1 (0.49) KMT2AMAOAMAOBL3MBTL1MAPT
SCHEMBL28412777 0.78 TDP1 (0.50) KMT2AMAOAMAOBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527693-A 2011-11-04 JP claimed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US claimed
CN-102088854-A Pharmaceutical compounds as cytotoxic agents and methods of use thereof MYRIAD PHARMACEUTICALS INC 2011-06-08 CN claimed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP claimed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 WO claimed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN disclosed
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 disclosed
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 disclosed
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 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 (6 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KMT2A 2520/4885MAOA 560/4885MAOB 565/4885
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF TP53, NFATC1, BAD KMT2A 4305/4885MAOA 2337/4885MAOB 1946/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KMT2A 2520/4885MAOA 560/4885MAOB 565/4885
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 KMT2A 767/4885MAOA 3055/4885MAOB 2005/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KMT2A 2520/4885MAOA 560/4885MAOB 565/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KMT2A 2520/4885MAOA 560/4885MAOB 565/4885

“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.