SCHEMBL453578

SCHEMBL453578

[c]1cccc2ccn[c]c12

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ CCR5 P51681 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
SCHEMBL60224 0.78 CYP2A6 (0.38) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL449251 0.67 — —
SCHEMBL28258823 0.66 ALDH1A1 (0.32) —
SCHEMBL2080 0.65 ALDH1A1 (0.35) KDM4EMAPTTDP1
SCHEMBL452611 0.65 EGFR (0.30) —
SCHEMBL27672027 0.64 METAP2 (0.41) KDM4EGMNNLMNATP53MMP2
SCHEMBL27475861 0.64 ALDH1A1 (0.33) KDM4EMAPTTDP1
SCHEMBL1928516 0.64 — —
SCHEMBL6860315 0.62 — —
SCHEMBL276596 0.62 KDM4E (0.41) KDM4EGMNNLMNATP53HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2084/4885GMNN 4029/4885LMNA 4640/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 KDM4E 1779/4885GMNN 4008/4885LMNA 4331/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 KDM4E 1721/4885GMNN 4137/4885LMNA 4612/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 KDM4E 1573/4885GMNN 4409/4885LMNA 4722/4885

“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.

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