SCHEMBL450508

SCHEMBL450508

[c]1c[c]c2cccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.31
HTT P42858 3/20 0.31
MEN1 O00255 2/20 0.31
CASP1 P29466 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
CASP7 P55210 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR4A2 P43354 1/20 0.31
BLM P54132 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL452094 0.71
SCHEMBL18594 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL5926025 0.69 NR4A2 (0.50) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL452262 0.68
SCHEMBL5926064 0.68 ALDH1A1 (0.48) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL449892 0.67
SCHEMBL451887 0.67 TSHR (0.38) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL277722 0.67 MAPT (0.38) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL17941612 0.67 EGFR (0.33)
Water SCHEMBL28824188 0.66 ALDH1A1 (0.63) MAPTKDM4EALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 EP disclosed
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 US disclosed
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF MERIAL, INC. (US) 2018-01-11 US disclosed
EP-3247701-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2017-11-29 EP disclosed
WO-2016118638-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC. (US) 2016-07-28 WO disclosed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
WO-2011105700-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-01 WO disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-6166210-A Perylene imide monocarboxylic acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US disclosed
EP-1053228-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS Ciba SC Holding AG (CH) 2000-11-22 EP disclosed
WO-1999031069-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-06-24 WO 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 (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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 MAPT 1670/4885KDM4E 2084/4885ALDH1A1 1108/4885
US-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 MAPT 4845/4885KDM4E 878/4885ALDH1A1 1300/4885
US-20180009754-A1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF CYP8B1, CYP2C8, CYP2B6 MAPT 4845/4885KDM4E 878/4885ALDH1A1 1300/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 MAPT 2228/4885KDM4E 1779/4885ALDH1A1 486/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 MAPT 1618/4885KDM4E 1721/4885ALDH1A1 1335/4885

“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.