SCHEMBL2711564

SCHEMBL2711564

COCCCN(C)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 3/20 0.33
CTSB P07858 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL29969353 0.86 ALDH1A1 (0.35) VCAM1LMNAALDH1A1KDM4EMAPT
SCHEMBL29970031 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL26590282 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2HTT
SCHEMBL29970318 0.78 VCAM1 (0.38) VCAM1LMNA
SCHEMBL26132118 0.78 VCAM1 (0.38) VCAM1LMNA
SCHEMBL2713686 0.78 DYRK1A (0.33) HTT
SCHEMBL857374 0.76 ALDH1A1 (0.45) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL25355126 0.75 KDM4E (0.38) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29970941 0.75 KDM4E (0.38) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2713265 0.73 LMNA (0.45) LMNAALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (1 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 VCAM1 1681/4885LMNA 2375/4885ALDH1A1 4025/4885

“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.