SCHEMBL252593

SCHEMBL252593

COc1[c]nc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
TLR8 Q9NR97 1/20 0.44
NQO2 P16083 5/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL1758450 0.80 TLR8 (0.49) KDM4ETLR8POLBALDH1A1HPGD
SCHEMBL328972 0.78 MAPT (0.47) KDM4ENQO2POLBALDH1A1HPGD
SCHEMBL23012557 0.78 MAPT (0.39) KDM4ETLR8NQO2POLBALDH1A1
SCHEMBL4920374 0.78 TLR8 (0.51) KDM4ETLR8ALDH1A1HPGDMAPT
SCHEMBL4919733 0.76 TLR8 (0.52) KDM4ETLR8ALDH1A1HPGDMAPT
SCHEMBL27644565 0.76 NPC1 (0.45) KDM4ENQO2ALDH1A1HPGDMAPT
SCHEMBL5761455 0.74 HTT (0.38) TLR8POLBALDH1A1HPGDMAPT
SCHEMBL641339 0.74 ALDH1A1 (0.47) KDM4ETLR8NQO2POLBALDH1A1
SCHEMBL521935 0.74 NQO2 (0.46) KDM4ETLR8NQO2POLBALDH1A1
SCHEMBL7060124 0.74 ALDH1A1 (0.46) KDM4ETLR8NQO2POLBALDH1A1

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 151 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
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 claimed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO claimed
EP-2308878-A2 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-04-13 EP claimed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP claimed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 EP claimed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 EP claimed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO claimed
JP-4233524-B2 2009-03-04 JP claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
JP-2006503013-A 2006-01-26 JP claimed
EP-1532149-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) 2005-05-25 EP claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
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 claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US claimed
US-4800201-A 1,4-thiazine derivative, and cardiotonic agent comprising it as effective component ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1989-01-24 US claimed
EP-0233287-A1 1,4-THIAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND CARDIOTONICS CONTAINING THE SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1987-08-26 EP 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 (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-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 KDM4E 336/4885TLR8 2482/4885NQO2 145/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 779/4885TLR8 321/4885NQO2 772/4885
US-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 KDM4E 4389/4885TLR8 429/4885NQO2 2903/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KDM4E 1974/4885TLR8 720/4885NQO2 619/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L KDM4E 4442/4885TLR8 402/4885NQO2 3551/4885

“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.