SCHEMBL1725006

SCHEMBL1725006

COc1ccc(CN)cc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APP P05067 1/20 0.46
ADRA2B P18089 1/20 0.45

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
SCHEMBL31090146 0.85 GAA (0.77) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL6865547 0.85 GAA (1.00) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1877259 0.84 KDM4E (0.72) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL29712870 0.83 GAA (0.74) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL2040802 0.83 ALDH1A1 (0.74) GAAALDH1A1CYP3A4KDM4EATM
SCHEMBL357294 0.83 GAA (0.74) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL44393 0.83 ATM (0.70) GAAALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL29535675 0.83 ATM (0.70) GAAALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL19409880 0.83 ATM (0.70) GAAALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL12510496 0.82 GAA (0.71) GAAALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
CN-105693597-A New inhibitors of cyclophilins and uses thereof 国家健康与医学研究院(INSERM) 2016-06-22 CN disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
CN-102341395-B 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2014-07-30 CN disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
US-4217272-A DYEING CELLULOSIC FIBERS STERLING DRUG INC. (US) 1980-08-12 US disclosed
US-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 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 (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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX GAA 1712/4885ALDH1A1 1761/4885CYP3A4 806/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX GAA 1712/4885ALDH1A1 1761/4885CYP3A4 806/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX GAA 1712/4885ALDH1A1 1761/4885CYP3A4 806/4885

“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.