SCHEMBL449540

SCHEMBL449540

[c]1c[c]c2ccncc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL455250 0.83 KDM4E (0.31) KDM4EMAPKAPK2SIGMAR1
SCHEMBL275946 0.71 LMNA (0.33) KDM4EMAPKAPK2HTTLMNACYP1A2
SCHEMBL5657919 0.69 CHUK (0.36) KDM4EHTTLMNA
SCHEMBL25010 0.69 KDM4E (0.37) KDM4EMAPKAPK2HTTLMNACYP1A2
SCHEMBL130352 0.69 CYP2A6 (0.33)
SCHEMBL18987 0.68 CYP1A2 (0.39) KDM4EMAPKAPK2HTTLMNACYP1A2
SCHEMBL5660013 0.68 CHUK (0.35)
SCHEMBL5926099 0.68 IMPDH2 (0.33) KDM4ECYP1A2
SCHEMBL17511868 0.67 KDM4E (0.38) KDM4EMAPKAPK2HTTLMNACYP1A2
SCHEMBL449142 0.67

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650850-A Nano-oxide surface modifier based on fatty acid and preparation method and application thereof 武汉轻工大学 2023-01-31 CN claimed
CN-115650850-A Nano-oxide surface modifier based on fatty acid and preparation method and application thereof 武汉轻工大学 2023-01-31 CN 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
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US 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 (4 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 KDM4E 2084/4885MAPKAPK2 2636/4885HTT 1689/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 KDM4E 1779/4885MAPKAPK2 1959/4885HTT 1161/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 KDM4E 1721/4885MAPKAPK2 2405/4885HTT 1570/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 KDM4E 1573/4885MAPKAPK2 2768/4885HTT 1189/4885

“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.