SCHEMBL310485

SCHEMBL310485

Cc1c(CN2CCN(C)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNG3 O60359 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNB3 P54284 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNG7 P62955 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNG1 Q06432 1/20 0.48

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
SCHEMBL6734667 0.87 CACNB4 (0.61) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL4586698 0.87 ACHE (0.69) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL3721123 0.84 CYP2A13 (0.54) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL23369522 0.84 ACHE (0.52) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL17856731 0.80 ALDH1A1 (0.55) ACHEKDM4EALDH1A1TDP1HTT
SCHEMBL18753901 0.79 CHRNA7 (0.49) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL17152946 0.78 ALDH1A1 (0.45) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL12511057 0.78 ACHE (0.74) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL18658604 0.78 ALDH1A1 (0.46) ACHEKDM4EALDH1A1TDP1LMNA
SCHEMBL27749320 0.77 MC4R (0.70) MEN1POLBKMT2AHTTSMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
CN-101932580-B Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC 2013-05-22 CN disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (3 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ACHE 3207/4885KDM4E 790/4885ALDH1A1 3410/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 ACHE 2322/4885KDM4E 1696/4885ALDH1A1 870/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ACHE 3749/4885KDM4E 1444/4885ALDH1A1 1563/4885

“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.