SCHEMBL2948725

SCHEMBL2948725

O=[N+]([O-])c1cnc(NCCCN2CCOCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
POLB P06746 2/20 0.59
PKM P14618 2/20 0.59
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
GAS6 Q14393 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
SCHEMBL3185546 0.84 MAPT (0.61) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL3577968 0.80 EGFR (0.52) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL2943473 0.80 TYRO3 (0.50) MAPTPOLBPKMALDH1A1HTT
SCHEMBL2376571 0.79 MAPT (0.68) MAPTPOLBPKMALDH1A1HTT
SCHEMBL2944003 0.78 LCK (0.63) MAPTPOLBPKMALDH1A1HTT
SCHEMBL14454203 0.77 TYRO3 (0.51) MAPTPOLBPKMALDH1A1HTT
SCHEMBL28372825 0.77 KDM4E (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL29953666 0.76 TYRO3 (0.50) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL11988204 0.76 TYRO3 (0.50) MAPTPOLBPKMALDH1A1LMNA
SCHEMBL6152689 0.76 PKM (0.56) MAPTPOLBPKMALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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 (2 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 MAPT 4311/4885POLB 3447/4885PKM 358/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 MAPT 4311/4885POLB 3447/4885PKM 358/4885

“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.