SCHEMBL328898

SCHEMBL328898

N#Cc1[c]nc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 2/20 0.41
ACHE P22303 1/20 0.41
CYP2A6 P11509 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
NQO2 P16083 1/20 0.35
PSMB8 P28062 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL5261039 0.77 HTT (0.38) ALOX15
SCHEMBL2996821 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL269884 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL584784 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL558535 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL641339 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7060124 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL558480 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL521935 0.69 NQO2 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2994886 0.69 ACP1 (0.37) CTSKCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US claimed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US claimed
US-9879004-B2 Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2018-01-30 US claimed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US claimed
US-8900725-B2 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. 2014-12-02 US claimed
US-8865322-B2 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-21 US claimed
EP-2407501-B1 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO LTD (KR) 2013-09-11 EP claimed
EP-2407502-B1 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO LTD (KR) 2013-06-19 EP claimed
US-20120013246-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 US claimed
US-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 US claimed
JP-2007512280-A 2007-05-17 JP claimed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US claimed
EP-1742949-A1 NOVEL-2-(PIPERAZIN-1-YL)-AND-2-([1,4]DIAZEPAN-1-YL)-IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2007-01-17 EP claimed
EP-1689748-A1 NOVEL 8-(PIPERAZINE-1-YL)- AND 8-( 1,4|DIAZEPAN-1-YL)-XANTHINE, THE PRODUCTION AND USE THEREOF IN THE FROM OF A DRUG Boehringer Ingelheim International GmbH (DE) 2006-08-16 EP claimed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US claimed
WO-2005058901-A1 NOVEL 2-(PIPERAZIN-1-YL)- AND 2-([1,4]DIAZEPAN-1-YL)- IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 WO claimed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US claimed
WO-2005051950-A1 NOVEL 8-(PIPERAZINE-1-YL)- AND 8-([1,4]DIAZEPAN-1-YL)-XANTHINE, THE PRODUCTION AND USE THEREOF IN THE FROM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 WO claimed
EP-0715626-A1 ANTIMICROBIAL QUINOLINYL-(1H-1,2,4-TRIAZOL-1-YL)ALKANOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-12 EP claimed
WO-1995006047-A1 ANTIMICROBIAL QUINOLINYL-(1H-1,2,4-TRIAZOL-1-YL)ALKANOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-02 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 ALDH1A1 285/4885KDM4E 844/4885GAA 211/4885
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 ALDH1A1 247/4885KDM4E 1514/4885GAA 295/4885
US-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CLTB, CD40LG, DYNLL2 ALDH1A1 768/4885KDM4E 3262/4885GAA 2601/4885
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 ALDH1A1 3648/4885KDM4E 609/4885GAA 4476/4885
US-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 ALDH1A1 449/4885KDM4E 4389/4885GAA 2194/4885
US-20120013246-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CLTB, CD40LG, DYNLL2 ALDH1A1 768/4885KDM4E 3262/4885GAA 2601/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L ALDH1A1 415/4885KDM4E 4442/4885GAA 2236/4885

“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.